Receptor
PDB id Resolution Class Description Source Keywords
4JP3 1.5 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF TT0495 PROTEIN FROM THERMUS THERMOPHILU THERMUS THERMOPHILUS ROSSMANN FOLD OXIDOREDUCTASE
Ref.: THE FIRST CRYSTAL STRUCTURE OF NAD-DEPENDENT 3-DEHYDRO-2-DEOXY-D-GLUCONATE DEHYDROGENASE FROM TH THERMOPHILUS HB8 ACTA CRYSTALLOGR.,SECT.D V. 70 994 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT A:301;
Valid;
none;
submit data
192.124 C6 H8 O7 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4JP3 1.5 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF TT0495 PROTEIN FROM THERMUS THERMOPHILU THERMUS THERMOPHILUS ROSSMANN FOLD OXIDOREDUCTASE
Ref.: THE FIRST CRYSTAL STRUCTURE OF NAD-DEPENDENT 3-DEHYDRO-2-DEOXY-D-GLUCONATE DEHYDROGENASE FROM TH THERMOPHILUS HB8 ACTA CRYSTALLOGR.,SECT.D V. 70 994 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 4JP3 - CIT C6 H8 O7 C(C(=O)O)C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 4JP3 - CIT C6 H8 O7 C(C(=O)O)C....
50% Homology Family (169)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3PJD ic50 = 380 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
2 1QSG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1DFG - NAD NDT n/a n/a
4 1I30 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1DFH - NAD TDB n/a n/a
6 1QG6 Kd = 22 pM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
7 4CV2 - PT6 C19 H20 N2 O2 S Cc1c(cccc1....
8 4D46 - J47 C13 H7 Br Cl N O2 c1cc(c(cc1....
9 1C14 ic50 = 120 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
10 1LXC ic50 = 0.37 uM AYM C19 H20 N4 O Cn1c2ccccc....
11 1MFP ic50 = 0.07 uM IDN C22 H22 N4 O2 Cn1cc(c2c1....
12 4CV3 Ki = 7 nM VT4 C19 H25 N O2 CCCCCCC1=C....
13 1DFI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
14 1D8A - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
15 3PJE ic50 = 470 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
16 1LX6 - ZAM C22 H26 N4 O2 CC(=O)N(C)....
17 3PJF ic50 = 68500 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
18 1E3S - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
19 2VZ0 Ki = 9.8 nM D64 C15 H14 N4 Cc1ccc(cc1....
20 3MCV Ki = 70 nM MCV C16 H18 N4 O2 S COc1ccc(c(....
21 3JQD Ki = 0.71 uM DX7 C13 H9 N5 O c1ccc(cc1)....
22 4BNK Ki = 1.42 nM FPL C12 H9 F O2 c1ccc(cc1)....
23 4ALI - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
24 4CV0 - PT6 C19 H20 N2 O2 S Cc1c(cccc1....
25 4D41 Ki = 0.05 nM JA1 C18 H21 N O4 CCCCCCc1cc....
26 4BNG Ki = 0.04 nM 5PP C17 H20 O2 CCCCCc1ccc....
27 4BNL Ki = 110 pM W1G C15 H14 O2 C=CCc1ccc(....
28 4D45 Ki = 0.17 nM J47 C13 H7 Br Cl N O2 c1cc(c(cc1....
29 4BNM - TCU C19 H24 O2 CCCCCCc1cc....
30 4ALK - GLU C5 H9 N O4 C(CC(=O)O)....
31 3GR6 Kd = 18.6 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
32 4BNH Ki = 10 pM 6PN C18 H22 O2 CCCCCCc1cc....
33 4BNI Ki = 120 pM P1F C18 H23 N O2 CCCCCCc1cc....
34 4BNN Ki = 120 pM JUS C19 H21 N O2 CCCCCCc1cc....
35 4CV1 - PT6 C19 H20 N2 O2 S Cc1c(cccc1....
36 4BNJ Ki = 380 pM MJ5 C13 H12 O2 Cc1ccc(c(c....
37 4FS3 Ki = 12.8 nM 0WE C22 H23 N3 O3 Cc1c2ccccc....
38 4D44 Ki = 0.35 nM JA3 C13 H11 F2 N O2 CCc1cc(c(c....
39 4D43 Ki = 0.75 nM 9W7 C14 H11 Cl F N O4 CCc1cc(c(c....
40 4ALJ - GLU C5 H9 N O4 C(CC(=O)O)....
41 4BNF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
42 4D42 Ki = 0.01 nM W0I C18 H21 F O2 CCCCCCc1cc....
43 1W4Z - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
44 5CPB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
45 5MTR Ki = 350 nM XT0 C21 H20 N4 O2 c1ccc(c(c1....
46 4BGI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 4OHU Ki = 0.2 nM 2TK C18 H21 Br O2 CCCCCCc1cc....
48 4OIM Ki = 2.14 nM JUS C19 H21 N O2 CCCCCCc1cc....
49 2IDZ Kd < 0.4 nM ZID C27 H30 N8 O15 P2 c1cnccc1C(....
50 2AQH Kd = 14.9 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
51 4BII - PYW C27 H32 N4 O8 CC/C(=C1/C....
52 3FNG ic50 = 110 nM JPL C19 H20 Cl2 O2 c1cc(c(cc1....
53 2H9I - EAD C29 H36 N8 O15 P2 CCc1cc(ccn....
54 1ENY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
55 2NSD ic50 = 5.16 uM 4PI C20 H23 N O Cc1ccc(cc1....
56 2X23 Ki = 7.8 nM TCU C19 H24 O2 CCCCCCc1cc....
57 5G0U ic50 = 0.297 uM 9CV C30 H31 F N6 O2 CNC(=O)c1c....
58 4TRN - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
59 2X22 Ki = 7.8 nM TCU C19 H24 O2 CCCCCCc1cc....
60 4DQU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
61 2IE0 - ZID C27 H30 N8 O15 P2 c1cnccc1C(....
62 4U0J ic50 = 10.66 uM 566 C17 H22 N2 O2 c1ccc(cc1)....
63 4COD ic50 = 34 nM KV1 C23 H27 N5 O4 CCc1cc(n(n....
64 5COQ Ki = 427.5 nM TCU C19 H24 O2 CCCCCCc1cc....
65 2AQ8 Kd = 2.5 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
66 4TZK ic50 = 0.39 uM 641 C17 H20 Cl2 N2 O2 c1c(cc(cc1....
67 4QXM ic50 = 0.05 uM 713 C20 H19 Cl F N3 O Cc1cc(n(n1....
68 4BGE - PYW C27 H32 N4 O8 CC/C(=C1/C....
69 2PR2 Ki = 130 nM DG1 C27 H33 N8 O18 P3 c1cnccc1C(....
70 2NTJ Ki = 2 nM P1H C30 H38 N8 O15 P2 CCCc1cc(cc....
71 5G0W ic50 = 16.3 uM 9NU C32 H40 N6 O5 C[C@H]([C@....
72 5MTP Ki = 610 nM 53K C22 H19 N3 O2 Cc1ccccc1O....
73 4TRJ ic50 = 0.89 uM 665 C17 H21 Br N2 O2 c1cc(cc(c1....
74 3FNF ic50 = 51 nM JPM C19 H14 Cl2 O2 c1ccc(cc1)....
75 4BQR ic50 = 0.2 uM IBH C16 H14 F2 N4 O2 S2 Cc1csc(n1)....
76 4BQP Kd = 13.7 nM VMY C18 H16 F2 N6 O S2 Cc1csc(n1)....
77 4OXK Ki = 40 nM 1S5 C19 H26 N2 O2 CCCCCCC1=C....
78 5UGU Ki = 370 nM XTV C19 H16 N4 O2 c1ccc(c(c1....
79 4OYR Ki = 0.96 nM 1US C18 H21 Cl O2 CCCCCCc1cc....
80 4DTI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
81 3OF2 Kd = 4.7 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
82 3OEY Kd = 3.5 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
83 2AQI Kd = 32 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
84 5G0S ic50 = 0.065 uM EEH C33 H40 N4 O4 S Cc1c2ccccc....
85 2NV6 ic50 = 323 nM ZID C27 H30 N8 O15 P2 c1cnccc1C(....
86 4U0K ic50 = 0.97 uM 744 C18 H23 Cl N2 O2 Cc1ccc(cc1....
87 4DRE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
88 4TRO Ki = 0.75 nM NAD ZID n/a n/a
89 2AQK Kd = 23 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
90 5G0V ic50 = 5.917 uM JDD C24 H28 N6 O2 CNC(=O)CN(....
91 5G0T ic50 = 0.057 uM S72 C29 H35 F N6 O3 Cc1c(nnn1C....
92 2NTV Ki = 11 nM P1H C30 H38 N8 O15 P2 CCCc1cc(cc....
93 4OXY Ki = 129 nM 1TN C18 H21 N O4 CCCCCCc1cc....
94 2IEB - ZID C27 H30 N8 O15 P2 c1cnccc1C(....
95 3FNE ic50 = 29 nM 8PC C18 H13 Cl2 N O2 c1ccnc(c1)....
96 2B35 Ki = 0.22 uM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
97 4TZT ic50 = 23.12 uM 468 C18 H23 Cl N2 O2 Cc1c(cccc1....
98 4OXN Ki = 40 nM 1S5 C19 H26 N2 O2 CCCCCCC1=C....
99 5CP8 Ki = 1570.6 nM TCU C19 H24 O2 CCCCCCc1cc....
100 3OEW Kd = 1.5 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
101 1D7O - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
102 1CWU - NAD TDB n/a n/a
103 1ENO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
104 4N5M - CAA C25 H40 N7 O18 P3 S CC(=O)CC(=....
105 4BO0 ic50 = 0.2 uM FXE C17 H18 N4 O3 Cn1c2cccc(....
106 4BNZ ic50 = 0.26 uM 8M5 C16 H14 N2 O Cn1cc(c2c1....
107 4BKU - 1S5 C19 H26 N2 O2 CCCCCCC1=C....
108 5I8W Ki = 55 nM 69H C19 H23 F O2 CCCCCCc1cc....
109 5I9M Ki = 55 nM 69K C14 H14 F N O2 CCc1cc(c(c....
110 5I8Z Ki = 158 nM JA1 C18 H21 N O4 CCCCCCc1cc....
111 5I7S Ki = 32 nM E9P C14 H14 O2 CCc1ccc(c(....
112 5I9L Ki = 153 nM 9W7 C14 H11 Cl F N O4 CCc1cc(c(c....
113 2AE2 - PTO C8 H15 N O CN1[C@H]2C....
114 2WYV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
115 2WYW - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
116 1NFQ - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
117 3SJ7 Kd = 53.93 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
118 1X1T - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
119 2ZTV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
120 1ZEM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
121 3LT4 Ki = 0.1 uM FB4 C12 H9 Cl2 N O2 c1cc(c(cc1....
122 3AM4 ic50 = 97 nM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
123 2O2Y Ki = 0.4 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
124 1VRW - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
125 4IGE ic50 = 0.25 uM CHJ C16 H11 Cl O4 CC1=CC(=O)....
126 2OL4 ic50 = 440 nM JPN C21 H18 Cl2 O2 c1ccc(cc1)....
127 3LT0 Ki = 0.18 uM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
128 3AM5 Ki = 38 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
129 4IGF ic50 = 6 uM CHV C15 H9 Cl O5 c1cc2c(cc1....
130 1ZK1 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
131 4JP3 - CIT C6 H8 O7 C(C(=O)O)C....
132 2WSB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
133 5CG1 - NAD BBN n/a n/a
134 5CG2 - NAD CJ3 n/a n/a
135 2Q2V - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
136 2Q2Q - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
137 3NUG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
138 1G0O Ki = 14 nM PYQ C11 H11 N O c1cc2c3c(c....
139 4ITU - 1HS C5 H12 O4 S2 C[C@@H](CS....
140 4RF2 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
141 1GCO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
142 5T2U - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
143 4NBU - CAA C25 H40 N7 O18 P3 S CC(=O)CC(=....
144 4KWH - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
145 4OSO - 2V4 C19 H14 O6 C[C@]1(Cc2....
146 5L4N ic50 = 57 uM 6QT C15 H12 O4 c1cc(cc(c1....
147 2EWM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
148 3AI3 - SOE C6 H12 O6 C1[C@@H]([....
149 3AI2 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
150 4CR6 - MAN C6 H12 O6 C([C@@H]1[....
151 4ZA2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
152 3OIG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
153 1AHH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
154 3VDQ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
155 5B4V - DXX C4 H6 O4 CC(C(=O)O)....
156 5B4U - MLA C3 H4 O4 C(C(=O)O)C....
157 5FF9 ic50 = 5230 uM AEF C8 H11 N O c1cc(ccc1C....
158 4O1M - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
159 2DTE - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
160 3OID - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
161 2PD4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
162 2PD3 - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
163 1EDO - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
164 2QIO ic50 = 3.6 uM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
165 3OJF ic50 = 0.06 uM IMJ C23 H24 N4 O2 Cc1c(c2ccc....
166 4Q9N ic50 = 0.95 uM 0WE C22 H23 N3 O3 Cc1c2ccccc....
167 5THQ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
168 3QWF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
169 3AFN - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CIT; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 CIT 1 1
2 HCA 0.576923 0.884615
3 MAH 0.44 0.807692
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4JP3; Ligand: CIT; Similar sites found: 511
This union binding pocket(no: 1) in the query (biounit: 4jp3.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO4 PIH 0.003076 0.45692 None
2 1C1L GAL BGC 0.001761 0.44308 None
3 3ZZS TRP 0.00165 0.44109 None
4 1UO5 PIH 0.01135 0.43683 None
5 2ALG DAO 0.0008231 0.43303 None
6 2ALG HP6 0.0008231 0.43303 None
7 1ECM TSA 0.0007175 0.4327 None
8 1LL2 UPG 0.0009477 0.43069 None
9 3T2W BTN 0.0005223 0.4208 None
10 1UWZ THU 0.00162 0.41345 None
11 3JRS A8S 0.01032 0.41067 None
12 4F8L GAL 0.03695 0.40909 None
13 1TUV VK3 0.02713 0.40151 None
14 4G28 0W8 0.001228 0.40135 None
15 1NU4 MLA 0.03836 0.40069 None
16 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.01985 0.40892 0.83682
17 1QRD FAD 0.006381 0.40245 1.25523
18 3JQM GTP 0.00114 0.40272 1.27389
19 1L2T ATP 0.005251 0.40573 1.2766
20 1Y2W NAG 0.008623 0.40612 1.40845
21 4NVP 7CH 0.007572 0.41412 1.43541
22 1Y9Q MED 0.005312 0.41522 1.5625
23 1DR1 HBI 0.003574 0.42968 1.5873
24 1DR1 NAP 0.003574 0.42968 1.5873
25 3ACC 5GP 0.001077 0.40194 1.65746
26 5YAS FAC 0.0002208 0.43439 1.67364
27 4DQ2 BTX 0.002093 0.42903 1.67364
28 3G9E RO7 0.01645 0.41582 1.67364
29 2QS8 MET 0.005419 0.41262 1.67364
30 2P41 SAH 0.002252 0.41246 1.67364
31 2P41 G1G 0.0006547 0.41057 1.67364
32 4IVG ANP 0.02044 0.40875 1.67364
33 3VKX T3 0.004085 0.40558 1.67364
34 1ZGA HMK 0.0002232 0.43991 1.68067
35 1Y75 NAG 0.003363 0.40665 1.69492
36 1M5B BN1 0.000138 0.50701 2.09205
37 1SOW NAD 0.0007026 0.4522 2.09205
38 2YBQ UP2 0.002254 0.43675 2.09205
39 2YBQ SAH 0.0008013 0.43145 2.09205
40 1LTH NAD 0.007861 0.42809 2.09205
41 4LKK SIA GAL 0.0009129 0.4272 2.09205
42 1LVL FAD 0.006041 0.42625 2.09205
43 3VPD ANP 0.001608 0.42194 2.09205
44 1NW5 SAM 0.003887 0.40547 2.09205
45 1DXY NAD 0.007361 0.40458 2.09205
46 4BG4 ARG 0.01883 0.40141 2.09205
47 1TLL NAP 0.02191 0.40099 2.09205
48 4QN7 G39 0.0161 0.40071 2.09205
49 2OFE NAG 0.002718 0.42779 2.11268
50 1L1Q 9DA 0.00394 0.40524 2.15054
51 2YC5 6BC 0.006234 0.41757 2.19298
52 2Y7P SAL 0.001557 0.42539 2.29358
53 3BHO B4P 0.004969 0.44629 2.40385
54 1YFZ IMP 0.0007669 0.40263 2.43902
55 1VDC FAD 0.004484 0.43526 2.51046
56 3T1A 5MA 0.000701 0.43152 2.51046
57 4I9A NCN 0.001837 0.43127 2.51046
58 2ZYF AKG 0.0008154 0.43054 2.51046
59 3M0J OAF 0.002397 0.42946 2.51046
60 2VJJ RAM GLC GAL NAG NAG GLC 0.007215 0.42772 2.51046
61 2BJK NAD 0.008628 0.42673 2.51046
62 4C0C WVH 0.006337 0.42628 2.51046
63 4I71 AGV 0.001021 0.42538 2.51046
64 2XVE FAD 0.0136 0.42335 2.51046
65 1IYE PGU 0.003811 0.42138 2.51046
66 2BNF UTP 0.00636 0.42044 2.51046
67 3H22 B53 0.001052 0.41797 2.51046
68 1F8F NAD 0.01568 0.41662 2.51046
69 3WD1 ST7 0.01029 0.41652 2.51046
70 2YPO PHE 0.004963 0.41548 2.51046
71 1VJO PLP 0.001488 0.41482 2.51046
72 3O7B SAH 0.001974 0.41461 2.51046
73 1YOE RIB 0.006347 0.4099 2.51046
74 2CKM AA7 0.01522 0.4076 2.51046
75 3K37 BCZ 0.04815 0.40644 2.51046
76 2H8Z FMN 0.008543 0.40476 2.51046
77 2H8Z 8CM 0.008543 0.40476 2.51046
78 3NCQ ATP 0.001246 0.42617 2.52101
79 3N5O GSH 0.00129 0.42155 2.55319
80 4FR3 0V4 0.01152 0.4308 2.5641
81 4FR3 LYS ARG ARG LYS SEP VAL 0.01784 0.42233 2.5641
82 1JH7 UVC 0.001283 0.43506 2.6455
83 2PN6 GLN 0.02455 0.41667 2.66667
84 2E1A MSE 0.003667 0.40519 2.66667
85 2F2G HMH 0.02325 0.40406 2.71493
86 3QDT A2G GAL 0.01089 0.41393 2.7972
87 3QDY A2G GAL 0.01203 0.41191 2.7972
88 3QDY CBS 0.01166 0.40622 2.7972
89 2ZSC BTN 0.001716 0.40098 2.83688
90 1OFH ADP 0.004107 0.444 2.87356
91 1F5F DHT 0.0002089 0.41853 2.92683
92 1I0Z OXM 0.001014 0.47127 2.92887
93 1JCM 137 0.0002805 0.46364 2.92887
94 1LDM NAD 0.002023 0.46098 2.92887
95 1YHM AHD 0.0007307 0.44522 2.92887
96 3ZPG 5GP 0.003702 0.44386 2.92887
97 2V6O FAD 0.006915 0.44241 2.92887
98 1V6A TRE 0.0008582 0.44232 2.92887
99 2A0W DIH 0.002055 0.43538 2.92887
100 1CL2 PPG 0.0006474 0.43496 2.92887
101 2WE5 ADP 0.000453 0.43141 2.92887
102 2X61 NGA GAL SIA 0.01147 0.42392 2.92887
103 2PWY SAH 0.001813 0.42357 2.92887
104 4JK3 NAD 0.003785 0.41882 2.92887
105 4OYA 1VE 0.03692 0.41876 2.92887
106 2P8B NSK 0.04423 0.41736 2.92887
107 9LDT NAD 0.005463 0.41511 2.92887
108 1WRA PC 0.007689 0.41435 2.92887
109 3O2K QRP 0.001736 0.41249 2.92887
110 1CKM GTP 0.002542 0.41137 2.92887
111 9LDB NAD 0.007117 0.4105 2.92887
112 4C6F DOR 0.002126 0.40918 2.92887
113 4C6F NCD 0.002126 0.40918 2.92887
114 1UKW FAD 0.01141 0.40895 2.92887
115 3K5X P8D 0.001172 0.40862 2.92887
116 2X61 CH 0.01386 0.40742 2.92887
117 4DYO SD4 0.003689 0.40509 2.92887
118 1FUI FOC 0.01512 0.40367 2.92887
119 1PEA ACM 0.01901 0.40256 2.92887
120 1RM4 NDP 0.008438 0.40224 2.92887
121 3GTD MLI 0.007915 0.40216 2.92887
122 2EB5 OXL 0.0194 0.40194 2.92887
123 1IM8 SAI 0.005913 0.40035 2.92887
124 1A69 FMB 0.008389 0.43255 2.94118
125 4JCA CIT 0.006602 0.43999 2.99401
126 4LBP 1WG 0.002477 0.42613 3
127 3KJQ B94 0.001209 0.41322 3.04878
128 1Y52 BTN 0.02191 0.40096 3.1746
129 2YGN PCF 0.007076 0.40802 3.20513
130 2J07 HDF 0.001936 0.45162 3.34728
131 2J07 FAD 0.001936 0.45162 3.34728
132 1P4C FMN 0.003744 0.45057 3.34728
133 3LZW FAD 0.001416 0.44734 3.34728
134 3WO0 ADP 0.001388 0.44536 3.34728
135 3WO0 ALA 0.001388 0.44536 3.34728
136 2VDJ HSE 0.002927 0.44062 3.34728
137 1C0I FAD 0.003701 0.43702 3.34728
138 1C0I BE2 0.003701 0.43702 3.34728
139 3DAG FEG 0.001264 0.43304 3.34728
140 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.004638 0.42816 3.34728
141 4B4D FAD 0.001506 0.42302 3.34728
142 3AHC TPP 0.003356 0.42227 3.34728
143 1V1A KDG 0.001492 0.42222 3.34728
144 3ZS7 ATP 0.001902 0.421 3.34728
145 3LZW NAP 0.01473 0.41987 3.34728
146 2NCD ADP 0.003051 0.4194 3.34728
147 2Q1A 2KT 0.004368 0.41889 3.34728
148 1XX4 BAM 0.01243 0.41818 3.34728
149 1QW9 KHP 0.003062 0.41803 3.34728
150 3MPI GRA 0.01463 0.41721 3.34728
151 2NLI LAC 0.01691 0.41229 3.34728
152 2NLI FMN 0.01691 0.41229 3.34728
153 3WE0 FAD 0.01303 0.41221 3.34728
154 1ML4 PAL 0.003781 0.41207 3.34728
155 2TPL HPP 0.004504 0.41147 3.34728
156 2F2U M77 0.001966 0.41046 3.34728
157 2WQP WQP 0.007118 0.40515 3.34728
158 4E28 9MZ 0.009803 0.40371 3.34728
159 3FED BIX 0.003424 0.40356 3.34728
160 1NF8 ISC 0.00193 0.40582 3.38164
161 2JAR UMP 0.00192 0.41506 3.5
162 1Y7P RIP 0.000242 0.40178 3.58744
163 1A8R GTP 0.0006268 0.43549 3.61991
164 1VQ2 DDN 0.01596 0.42029 3.62694
165 3ZOD FMN 0.001787 0.42875 3.66492
166 3ZOD HQE 0.001787 0.42875 3.66492
167 3QVL 5HY 0.02802 0.40357 3.67347
168 2QLX RM4 0.001793 0.44273 3.7037
169 4NAT 2W5 0.009485 0.41225 3.75
170 4TMK T5A 0.01528 0.44023 3.75587
171 1H2B NAJ 0.0004259 0.46235 3.76569
172 1H9G COA MYR 0.000389 0.45475 3.76569
173 1R37 NAD 0.001225 0.44511 3.76569
174 2GSD NAD 0.001547 0.44224 3.76569
175 1Y42 TYR 0.0009622 0.43378 3.76569
176 2G86 UMP 0.008948 0.42333 3.76569
177 4OE4 NAD 0.003455 0.42243 3.76569
178 3P7I P7I 0.002334 0.41833 3.76569
179 2HGS ADP 0.002505 0.41641 3.76569
180 2PTZ PAH 0.001488 0.41483 3.76569
181 4C0X AQN 0.005698 0.41438 3.76569
182 1P9P SAH 0.002931 0.41379 3.76569
183 1C3V NDP 0.007138 0.41045 3.76569
184 1UMP SQA 0.004794 0.41041 3.76569
185 1R37 ETX 0.000308 0.40818 3.76569
186 2H6B 3C4 0.006136 0.40622 3.76569
187 1KW6 BPY 0.04218 0.40163 3.76569
188 1KPH 10A 0.01417 0.40061 3.76569
189 3RGG AIR 0.001777 0.40124 3.77358
190 1MVN PCO 0.02682 0.40749 3.82775
191 1SS4 CIT 0.0003069 0.55794 3.92157
192 3U5S FAD 0.003208 0.4105 3.96825
193 1ZZ7 S0H 0.002275 0.41877 4.0404
194 4EXO PYR 0.0005549 0.47432 4.10959
195 1TH8 ADP 0.000472 0.42208 4.13793
196 4GYW UDP 0.001046 0.44525 4.1841
197 1Q0H FOM 0.003748 0.43679 4.1841
198 1Q0H NDP 0.004127 0.43679 4.1841
199 2C31 ADP 0.009532 0.43504 4.1841
200 2CSN CKI 0.001193 0.43403 4.1841
201 2IMP NAI 0.01225 0.43346 4.1841
202 1LYX PGA 0.0005645 0.4279 4.1841
203 3BAZ NAP 0.001837 0.4267 4.1841
204 1A59 COA 0.001228 0.42236 4.1841
205 1P72 ADP 0.003635 0.42221 4.1841
206 3PVT 3HC 0.01047 0.41048 4.1841
207 1SW1 PBE 0.0113 0.41019 4.1841
208 1YBH FAD 0.01265 0.40907 4.1841
209 2OI2 DP6 0.001644 0.40836 4.1841
210 3LTW HLZ 0.008007 0.40751 4.1841
211 2E0N SAH 0.009526 0.40685 4.1841
212 3B96 MYA 0.003699 0.40628 4.1841
213 1SQ5 PAU 0.004709 0.40608 4.1841
214 3B96 FAD 0.01471 0.40439 4.1841
215 4NE2 ADP 0.01174 0.40412 4.1841
216 3PXP MYR 0.00355 0.40297 4.1841
217 2RDT 2RD 0.04455 0.40285 4.1841
218 2RDT FMN 0.03248 0.40285 4.1841
219 3V1V GST 0.00358 0.40284 4.1841
220 4NE2 SH2 0.01512 0.40183 4.1841
221 2OZE AGS 0.004694 0.40044 4.1841
222 1VJT NAD 0.005286 0.4004 4.1841
223 3RF4 FUN 0.003501 0.41125 4.31034
224 4B8V NDG NAG NAG NAG 0.002893 0.42053 4.38596
225 3HY3 10F 0.0002511 0.45672 4.4335
226 1BGQ RDC 0.0004439 0.4525 4.44444
227 3PNA CMP 0.0006499 0.41017 4.54545
228 1R6W 164 0.0001988 0.44719 4.60251
229 3TFC PEP 0.0004526 0.44693 4.60251
230 3NYQ AMP 0.001805 0.43702 4.60251
231 3NYQ MCA 0.001676 0.43702 4.60251
232 1E2S CSN 0.0004415 0.43182 4.60251
233 2E2R 2OH 0.002666 0.43141 4.60251
234 1TIW TFB 0.003572 0.43078 4.60251
235 1TIW FAD 0.003572 0.43078 4.60251
236 4R33 SAH 0.003387 0.42598 4.60251
237 4R33 TRP 0.003387 0.42598 4.60251
238 4BWL MN9 0.006101 0.42586 4.60251
239 4NES UD1 0.001312 0.42128 4.60251
240 4NES UDP 0.001651 0.4154 4.60251
241 2PUL ACP 0.001565 0.41401 4.60251
242 4CMF PXG 0.01662 0.41261 4.60251
243 2EFJ SAH 0.001965 0.41257 4.60251
244 4LSJ LSJ 0.003067 0.41124 4.60251
245 2YVF FAD 0.03194 0.40638 4.60251
246 2YVF NAD 0.03297 0.40638 4.60251
247 3TO7 COA 0.01407 0.40618 4.60251
248 1ZFJ IMP 0.01869 0.4056 4.60251
249 1WL4 COA 0.02053 0.40388 4.60251
250 4C0R GDS 0.0158 0.40184 4.60251
251 2DKH FAD 0.01366 0.40145 4.60251
252 1BTN I3P 0.006729 0.45517 4.71698
253 1ZS6 ADP 0.002146 0.41423 4.73373
254 3K3K A8S 0.0004738 0.44009 4.73934
255 3PNL ADP 0.003814 0.4094 4.73934
256 2VBQ BSJ 0.0009477 0.44963 4.84848
257 3DDC GNP 0.00433 0.41214 4.90798
258 4K30 NLG 0.003255 0.41252 5
259 1WUR 8DG 0.003749 0.40968 5
260 1LC8 33P 0.0006101 0.44707 5.02092
261 1R27 MGD 0.001659 0.4422 5.02092
262 4RJK PYR 0.002887 0.4409 5.02092
263 3P3N AKG 0.001652 0.43712 5.02092
264 1TOI HCI 0.001519 0.43455 5.02092
265 2H6T IVA VAL VAL STA ALA STA 0.0005305 0.43379 5.02092
266 4AT0 FAD 0.005549 0.43134 5.02092
267 2R42 FPS 0.001963 0.41671 5.02092
268 1WDA BAG 0.002459 0.41193 5.02092
269 2WA4 069 0.001374 0.4112 5.02092
270 1I7L ATP 0.004217 0.40941 5.02092
271 1RP0 AHZ 0.04357 0.40438 5.02092
272 4N4J HG1 0.01934 0.40187 5.02092
273 4PO2 ASN ARG LEU LEU LEU THR GLY 0.002313 0.42118 5.10638
274 1CBF SAH 0.00175 0.41221 5.26316
275 2HVW DDN 0.0007674 0.423 5.43478
276 4M51 BEZ 0.0001436 0.50169 5.43933
277 1I2B USQ 0.0002142 0.49698 5.43933
278 1I2B UPG 0.0002142 0.49698 5.43933
279 3FC2 IBI 0.0003117 0.46339 5.43933
280 1JIL 485 0.0002199 0.45271 5.43933
281 1TDF NAP 0.0054 0.44603 5.43933
282 1E7S NAP 0.005512 0.43837 5.43933
283 1KEW TYD 0.01452 0.4333 5.43933
284 1TDF FAD 0.004784 0.43321 5.43933
285 2BNE U5P 0.002373 0.43285 5.43933
286 3FXU TSU 0.00118 0.43253 5.43933
287 2Q09 DI6 0.0008355 0.43013 5.43933
288 1KEW NAD 0.02174 0.42485 5.43933
289 1NZY BCA 0.00335 0.4195 5.43933
290 1I9G SAM 0.01344 0.41335 5.43933
291 2AEB ABH 0.008 0.41145 5.43933
292 2C7G ODP 0.02576 0.40725 5.43933
293 2C7G FAD 0.02669 0.40725 5.43933
294 3PJU C2E 0.006763 0.40603 5.43933
295 2Z9V PXM 0.00563 0.40296 5.43933
296 3R51 MMA 0.01498 0.4142 5.625
297 1HFS L04 0.006439 0.41349 5.625
298 3MBG FAD 0.001897 0.42615 5.7554
299 1T57 FMN 0.000405 0.44678 5.82524
300 2Q8H TF4 0.0005049 0.48601 5.85774
301 2B7N NTM 0.0002295 0.46613 5.85774
302 2JFV FLC 0.0006154 0.45561 5.85774
303 3ZEI AWH 0.001057 0.44079 5.85774
304 1T10 F6P 0.001273 0.4352 5.85774
305 4OJ8 2TQ 0.001038 0.43109 5.85774
306 4KCT PYR 0.00123 0.42361 5.85774
307 2ZJ5 ADP 0.002638 0.42203 5.85774
308 1GEX PLP HSA 0.002701 0.42016 5.85774
309 3CQ5 PMP 0.001563 0.41958 5.85774
310 1QF5 GDP 0.01088 0.4189 5.85774
311 1QF5 RPL 0.01088 0.4189 5.85774
312 5LKC FUC GLA A2G 0.02379 0.41729 5.85774
313 4AQL TXC 0.002074 0.41169 5.85774
314 3FPZ AHZ 0.04368 0.40839 5.85774
315 3CKJ CIT 0.006022 0.40801 5.85774
316 4OJ8 AKG 0.004322 0.40372 5.85774
317 3CQD ATP 0.018 0.40076 5.85774
318 2O66 FLC 0.0006042 0.44865 5.92593
319 2HFK E4H 0.0002676 0.45609 5.95611
320 1POC GEL 0.0001771 0.45157 5.97015
321 3H86 AP5 0.01814 0.40824 6.25
322 3TKA CTN 0.003044 0.47524 6.27615
323 1BUC CAA 0.0007063 0.44118 6.27615
324 1H6C SIN 0.003699 0.43121 6.27615
325 1RYD NDP 0.004088 0.42728 6.27615
326 2OWZ F6P 0.001288 0.41942 6.27615
327 1H6C NDP 0.009649 0.41194 6.27615
328 1DLJ NAI 0.01736 0.4118 6.27615
329 1F1V DHY 0.002648 0.41069 6.27615
330 4G1V FAD 0.006016 0.40945 6.27615
331 1DLJ UGA 0.01995 0.4092 6.27615
332 2Q8M FBP 0.002631 0.40565 6.27615
333 3IU9 T07 0.0417 0.40002 6.27615
334 1QY1 PRZ 0.0002342 0.45383 6.32184
335 2WCV FUC 0.0007677 0.41397 6.42857
336 2FWP CIT 0.001489 0.43773 6.55738
337 2FWP ICR 0.01674 0.40002 6.55738
338 1R18 SAH 0.0007887 0.43567 6.60793
339 1U7Z PMT 0.002295 0.43281 6.63717
340 1ULE GLA GAL NAG 0.01937 0.40218 6.66667
341 1GJW GLC 0.000694 0.4612 6.69456
342 1O9U ADZ 0.002645 0.45098 6.69456
343 3WCS MAN NAG GAL 0.0001818 0.43631 6.69456
344 4USQ FAD 0.002797 0.43057 6.69456
345 1GSA ADP 0.006049 0.42974 6.69456
346 1RKD ADP 0.004036 0.42166 6.69456
347 1RKD RIB 0.004036 0.42166 6.69456
348 3WCS MAN NAG 0.0002005 0.41981 6.69456
349 1P9B GDP 0.001572 0.41619 6.69456
350 1P9B IMO 0.003311 0.41512 6.69456
351 3ZY6 GFB 0.002576 0.41413 6.69456
352 3BW2 FMN 0.006277 0.41141 6.69456
353 4B7J G39 0.009304 0.40822 6.69456
354 1I36 NAP 0.004875 0.40697 6.69456
355 3B1F NAD 0.005832 0.40231 6.69456
356 5FIT AP2 0.001981 0.4054 6.80272
357 4IAE 1DX 0.005736 0.43197 6.87831
358 1SJW NGV 0.0008624 0.40479 6.94444
359 3QQA TCH 0.006324 0.40095 6.94444
360 3BRN SRO 0.0127 0.40962 7.00637
361 4PIV 2W4 0.0004255 0.47002 7.11297
362 1OTH PAO 0.001426 0.43984 7.11297
363 4PIV NDP 0.008706 0.42727 7.11297
364 2V7T SAH 0.02131 0.42641 7.11297
365 1IUP ALQ 0.00303 0.42404 7.11297
366 3GJB AKG 0.001581 0.41939 7.11297
367 2IZ1 ATR 0.00514 0.41584 7.11297
368 1EB9 HBA 0.00125 0.41269 7.11297
369 2AXR ABL 0.01829 0.40371 7.11297
370 3U7Y FLC 0.01212 0.43769 7.42358
371 1NN5 2DT 0.001983 0.43138 7.44186
372 1NN5 ANP 0.001983 0.43138 7.44186
373 1MDZ PLP 0.0005553 0.45631 7.53138
374 1MDZ DCS 0.000601 0.45631 7.53138
375 3GWT 066 0.003365 0.42355 7.53138
376 2PT9 2MH 0.006061 0.41693 7.53138
377 2GWD GLU 0.001849 0.41674 7.53138
378 2PT9 S4M 0.003592 0.41532 7.53138
379 3CL7 HYN 0.003811 0.41274 7.53138
380 3ZUY TCH 0.001009 0.41023 7.53138
381 3ZRR PXG 0.003756 0.40603 7.53138
382 4Q3R XA2 0.006711 0.4047 7.53138
383 3NKS ACJ 0.003359 0.40172 7.53138
384 2YN4 39J 0.007717 0.4208 7.62712
385 2HMT NAI 0.02559 0.40304 7.63889
386 2ZX7 ZX7 0.004341 0.41847 7.94979
387 4HXY ACA 0.000754 0.40975 7.94979
388 2P8O BVA 0.002828 0.40666 8.24742
389 3BL6 FMC 0.004132 0.40253 8.26087
390 1SB8 UD2 0.007811 0.44894 8.3682
391 4CS4 AXZ 0.001742 0.44889 8.3682
392 4CS4 ANP 0.001217 0.44889 8.3682
393 3OND ADN 0.002663 0.44486 8.3682
394 3OND NAD 0.002663 0.44486 8.3682
395 2BLE 5GP 0.004874 0.44148 8.3682
396 2C29 DQH 0.0007131 0.43741 8.3682
397 1SB8 NAD 0.01664 0.42865 8.3682
398 3I0O ADP 0.0009627 0.42211 8.3682
399 2Q97 ATP 0.001913 0.42091 8.3682
400 4GQB 0XU 0.02132 0.40942 8.3682
401 4PVD NDP 0.0222 0.40207 8.3682
402 1FMB HYB 0.001824 0.40671 8.65385
403 4LFL TG6 0.001182 0.40789 8.72093
404 1Y1A GSH 0.003352 0.47156 8.74317
405 1EP2 ORO 0.001302 0.44404 8.78661
406 1EP2 FMN 0.001558 0.43262 8.78661
407 1KOL NAD 0.002964 0.43189 8.78661
408 1UXG FUM 0.008292 0.41568 8.78661
409 1UXG NAD 0.008292 0.41568 8.78661
410 1EP2 FAD 0.002934 0.4155 8.78661
411 3IOI 1GW 0.006162 0.41426 8.78661
412 3MAG 3MA 0.02131 0.41389 8.78661
413 4P3H 25G 0.007919 0.42221 8.80829
414 2GJ3 FAD 0.001285 0.4396 9.16667
415 4B9E FAH 0.0008151 0.45807 9.20502
416 1YAG ATP 0.0009641 0.43417 9.20502
417 2YB9 HA0 0.001992 0.4313 9.20502
418 1EXB NDP 0.01926 0.4214 9.20502
419 3JQ3 ADP 0.001138 0.41938 9.20502
420 2HW1 ANP 0.002477 0.41478 9.20502
421 1Q3Q ANP 0.03193 0.4045 9.20502
422 2ZB3 NDP 0.002797 0.42403 9.34844
423 1QJC PNS 0.01338 0.41852 9.49367
424 4FDV 0UK 0.006981 0.41207 9.56938
425 1FIQ MTE 0.0002254 0.469 9.58904
426 1FIQ SAL 0.0002684 0.469 9.58904
427 1FIQ FAD 0.004896 0.4207 9.58904
428 1D6H COA 0.002479 0.44247 9.62343
429 2AMV BIN 0.004055 0.43881 9.62343
430 4UAL 3FV 0.001276 0.41957 9.62343
431 3WBF NAP 0.006222 0.41024 9.62343
432 3F81 STT 0.002718 0.44212 9.83607
433 2XDQ MGX 0.0004874 0.48675 10.0418
434 4HA6 FAD 0.001433 0.45243 10.0418
435 2XK9 XK9 0.004094 0.42385 10.0418
436 2Q1S NAI 0.009678 0.41765 10.0418
437 2OYS FMN 0.002741 0.4131 10.0418
438 4N7C AEF 0.0004811 0.46833 10.2273
439 3TCT 3MI 0.00884 0.4259 10.2362
440 2VAR ANP 0.0006998 0.43572 10.4603
441 1B9I PXG 0.001506 0.42669 10.4603
442 2HGZ PBF 0.002012 0.42352 10.4603
443 1QPB PYM 0.009308 0.40056 10.4603
444 3F3E LEU 0.002559 0.43564 10.8787
445 2V5E SCR 0.0311 0.40542 10.8911
446 2B82 ADN 0.004878 0.40354 10.9005
447 2D0V PQQ 0.000182 0.45582 11.1111
448 3EW2 BTN 0.001619 0.41898 11.1111
449 3O26 NDP 0.004195 0.44168 11.2971
450 1OLS TDP 0.002746 0.44156 11.2971
451 4O8A FAD 0.001234 0.441 11.2971
452 1GAD NAD 0.005891 0.40839 11.2971
453 2O2C G6Q 0.001068 0.40039 11.2971
454 1OGD RIP 0.0004185 0.41006 11.4504
455 1V2G OCA 0.0007095 0.42164 11.5789
456 2Q37 3AL 0.005541 0.40862 11.6022
457 2WGC SIA GAL BGC 0.0296 0.41433 11.6959
458 4TSK NDP 0.003224 0.44782 11.7155
459 1WNG SAH 0.0004585 0.44063 11.7155
460 4KXV TDP DX5 0.006174 0.42098 11.7155
461 2YFT DQR 0.001816 0.41162 11.7155
462 2VN9 GVD 0.01696 0.40118 11.7155
463 2YLD CMO 0.002575 0.4288 11.811
464 2R40 20E 0.001132 0.43323 12.1339
465 2R40 EPH 0.002637 0.42713 12.1339
466 2YY7 NAD 0.01012 0.42402 12.1339
467 2QIA U20 0.02409 0.40748 12.1339
468 1V7R CIT 0.03503 0.40274 12.3656
469 2XCG XCG 0.0004786 0.45598 12.5523
470 1JQ5 NAD 0.04149 0.42416 12.5523
471 1TU3 GNP 0.001787 0.42717 12.8655
472 1Z6Z NAP 0.004885 0.43842 12.9707
473 1R6D DAU 0.01665 0.43168 12.9707
474 1H9A NAP 0.005809 0.41768 12.9707
475 3I51 45C 0.00108 0.41499 12.9707
476 1R6D NAD 0.03887 0.41287 12.9707
477 1YOA FMN 0.03716 0.40895 13.2075
478 1RZM PEP 0.0005898 0.44231 13.3891
479 3QP6 HL6 0.001068 0.41773 13.3891
480 1NVU GTP 0.007402 0.43072 13.8554
481 3GE7 AFQ 0.000272 0.47021 14.2259
482 2ZJ3 G6P 0.002588 0.41216 14.2259
483 3TA2 AKG 0.006399 0.40976 14.2259
484 4AF0 IMP 0.0114 0.41027 14.6444
485 2HV8 GTP 0.00414 0.41135 15.625
486 1Q6O LG6 0.002397 0.40715 15.7407
487 1RYI GOA 0.00319 0.43788 16.318
488 1RYI FAD 0.003969 0.43197 16.318
489 3S9K CIT 0.01612 0.43566 16.9492
490 4W6Z 8ID 0.001995 0.43893 17.1548
491 1KBJ FMN 0.0004039 0.45239 17.9916
492 3HF3 FMN 0.005928 0.40203 17.9916
493 2DTJ THR 0.001757 0.40216 19.1011
494 4INB 1F6 0.001911 0.41715 19.1781
495 1ZK7 FAD 0.001711 0.45115 19.6653
496 4N02 FNR 0.02819 0.40416 20.0837
497 3BY8 MLT 0.004966 0.42288 20.4225
498 4NPT 017 0.001001 0.41114 22.2222
499 3RFV 15L 0.006121 0.40773 28.0335
500 2BD0 BIO 0.0003257 0.46998 33.8912
501 1HDR NAD 0.0003369 0.48388 35.5649
502 2GDZ NAD 0.006677 0.43171 38.0753
503 3HB5 E2B 0.00008465 0.42616 39.3305
504 4IXW IXW 0.004059 0.42689 41.841
505 3V1U NAD 0.004007 0.41346 45.1883
506 3QWI CUE 0.002347 0.46712 46.0251
507 3QWI NAP 0.008917 0.42797 46.0251
508 1XHL NDP 0.00631 0.43545 46.4435
509 1XHL TNE 0.001168 0.40957 46.4435
510 1HDC CBO 0.00009632 0.505 48.1172
511 3D3W NAP 0.001183 0.44444 48.1172
Pocket No.: 2; Query (leader) PDB : 4JP3; Ligand: CIT; Similar sites found: 127
This union binding pocket(no: 2) in the query (biounit: 4jp3.bio2) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3SJ0 DXC 0.007404 0.41509 None
2 4LTN FMN 0.01857 0.40572 None
3 1N9L FMN 0.0003143 0.40525 None
4 1H8G CHT 0.04482 0.4045 None
5 3BLI ACO 0.002705 0.41513 0.83682
6 2Y6P CTP 0.001269 0.4176 1.28205
7 1XIU REA 0.0004251 0.40996 1.30435
8 1QR0 COA 0.001748 0.40291 1.31579
9 1ZGA SAH 0.002803 0.40234 1.68067
10 4KQL 1SG 0.01771 0.41831 2.09205
11 2J7T 274 0.005283 0.41306 2.09205
12 4KQI RBZ 0.007886 0.40871 2.09205
13 4KQI NIO 0.007886 0.40871 2.09205
14 2UZ2 BTN 0.001724 0.41246 2.30769
15 3UH0 TSB 0.001866 0.4231 2.51046
16 1E4E PHY 0.0004711 0.41225 2.51046
17 1Y7I SAL 0.0006948 0.40468 2.51046
18 2VHJ ADP 0.004321 0.40372 2.51046
19 1YS4 NAP 0.005974 0.40191 2.51046
20 4DN8 BMA 0.01175 0.40029 2.5641
21 4DXJ 0M9 0.000196 0.4356 2.92887
22 1O7N IND 0.002976 0.41354 2.92887
23 1QO0 BMD 0.007438 0.4089 2.92887
24 1XVV CCQ 0.01398 0.40727 2.92887
25 3MMR ABH 0.03559 0.40112 2.92887
26 3MPI FAD 0.00296 0.43076 3.34728
27 3Q3C NAD 0.00893 0.42571 3.34728
28 2IUW AKG 0.0002347 0.42543 3.36134
29 2FR6 URI 0.0002621 0.40601 3.42466
30 1MQ0 BRD 0.0005022 0.42976 3.57143
31 4NAT ADP 0.01087 0.43685 3.75
32 4COQ SAN 0.001241 0.44248 3.76569
33 4C0X FMN 0.0008938 0.44056 3.76569
34 4LWA Q13 0.008155 0.41699 3.76569
35 2DDH HXD 0.00557 0.40134 3.76569
36 1AX2 NDG GAL 0.0007303 0.40113 3.76569
37 4EKV BTN 0.01441 0.4005 3.77358
38 1SS4 GSH 0.001341 0.49276 3.92157
39 1V5F FAD 0.02969 0.43486 4.1841
40 1V5F TPP 0.02969 0.43486 4.1841
41 2OD9 A1R NCA 0.004147 0.4186 4.1841
42 4LCQ URQ 0.004374 0.41632 4.1841
43 3SQG TP7 0.001819 0.41159 4.1841
44 1J5P NAD 0.005488 0.41103 4.1841
45 1YBH P22 0.001022 0.41026 4.1841
46 2C31 TZD 0.04979 0.40332 4.1841
47 2D37 FMN 0.007685 0.40384 4.54545
48 2D37 NAD 0.008336 0.40384 4.54545
49 3MB5 SAM 0.007862 0.42653 4.60251
50 1PL6 572 0.004273 0.4219 4.60251
51 2QDT I38 0.002473 0.40665 4.60251
52 2DKH 3HB 0.01671 0.40404 4.60251
53 1OMZ UD2 0.02067 0.40376 4.60251
54 3MCT SAH 0.005385 0.4019 4.60251
55 2RCN GDP 0.003675 0.40025 4.60251
56 2IXB A2G 0.0004342 0.46846 5.02092
57 2IXB NAD 0.0002542 0.46846 5.02092
58 4GLJ RHB 0.002036 0.43362 5.02092
59 3FS8 TDR 0.03065 0.41366 5.02092
60 2ZJF BSU 0.002582 0.40601 5.02092
61 4RNX FMN 0.004582 0.40368 5.02092
62 4BMO FMN 0.003027 0.41822 5.04202
63 1FW1 GSH 0.0008932 0.41054 5.09259
64 2WIC GNP 0.003619 0.41281 5.43933
65 4CKL SM8 0.003489 0.4091 5.43933
66 3UR0 SVR 0.01637 0.40888 5.43933
67 2TOH HBI 0.007629 0.40101 5.43933
68 4A3R CIT 0.01623 0.40058 5.43933
69 2IYG FMN 0.001466 0.41017 5.64516
70 1Z45 NAD 0.001025 0.4428 5.85774
71 4M2K PLP 0.0001667 0.43125 5.85774
72 3OZG SSI 0.001894 0.41094 5.85774
73 3IO3 ADP 0.003925 0.40337 5.85774
74 1NX4 AKG 0.0005842 0.40005 5.85774
75 1BUC FAD 0.008628 0.41181 6.27615
76 4EPL JAI 0.001902 0.41087 6.27615
77 3QV9 QV7 0.005002 0.41046 6.27615
78 3SUC ATP 0.01806 0.40168 6.27615
79 1FDJ 2FP 0.002782 0.40004 6.27615
80 4NM5 ADP 0.001961 0.42049 6.69456
81 2WUF KEM 0.002652 0.4172 6.69456
82 1GSA GSH 0.01915 0.40341 6.69456
83 3RO7 TDR 0.001036 0.43962 7.11297
84 3C1O NAP 0.00262 0.41907 7.11297
85 1UBY DMA 0.002306 0.40997 7.11297
86 3A2Q ACA ACA 0.00007609 0.46526 7.53138
87 3PFG SAM 0.004422 0.42902 7.53138
88 3PFG TLO 0.004422 0.42902 7.53138
89 2C2A ADP 0.000401 0.40981 7.94979
90 3I0O SMI 0.003563 0.4166 8.3682
91 2ZI8 SDT 0.00784 0.40625 8.3682
92 2QA1 FAD 0.01643 0.40035 8.3682
93 4HZD COA 0.00455 0.42315 8.86525
94 4BAS GNP 0.004993 0.40316 9.04523
95 1G8S MET 0.005638 0.4141 9.13043
96 4CCO OGA 0.000484 0.44576 9.20502
97 3FSJ D7K 0.03697 0.4076 9.20502
98 1AUX AGS 0.003288 0.40422 9.20502
99 3UIE ANP 0.0002891 0.42902 9.5
100 3UIE ADX 0.001503 0.41228 9.5
101 3WBF API 0.002301 0.43277 9.62343
102 2C5S AMP 0.00137 0.4218 9.62343
103 4HVK PMP 0.0009164 0.40281 9.62343
104 3GD8 GOL 0.007062 0.40232 9.86547
105 2YYJ 4HP 0.04612 0.40825 10.0418
106 2YYJ FAD 0.04612 0.40825 10.0418
107 1T8U UAP SGN IDS SGN 0.01458 0.40555 10.0418
108 3DG6 MUC 0.0002317 0.43126 10.4603
109 1QPB TPP 0.002829 0.42091 10.4603
110 3RK0 AMP 0.002354 0.40268 10.4603
111 3TXO 07U 0.0006872 0.42476 11.2971
112 4BT5 23B 0.001269 0.40174 11.2971
113 1WGC SIA GAL BGC 0.02747 0.40821 11.6959
114 2DVZ GLU 0.0008191 0.41306 11.7155
115 1FP1 HCC 0.003057 0.40746 11.7155
116 1FP1 SAH 0.002492 0.40653 11.7155
117 1X54 4AD 0.007568 0.40115 11.7155
118 2P1O NLA 0.006442 0.41096 11.875
119 2P1O IHP 0.006442 0.41096 11.875
120 2P1M IHP 0.00836 0.40096 11.875
121 1RZM E4P 0.001579 0.4452 13.3891
122 2QV7 ADP 0.0009943 0.40242 14.2259
123 2ZWS PLM 0.01079 0.43801 14.6444
124 4AMV F6R 0.00152 0.41448 16.7364
125 1EZV SMA 0.006867 0.40576 16.8224
126 3DCM SAM 0.003666 0.40643 17.7083
127 2FYU FDN 0.0001668 0.41206 20
Pocket No.: 3; Query (leader) PDB : 4JP3; Ligand: CIT; Similar sites found: 114
This union binding pocket(no: 3) in the query (biounit: 4jp3.bio3) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4LTN NAI 0.0001838 0.42386 None
2 4F4S EFO 0.02532 0.40213 None
3 4MWV BCZ 0.00008837 0.42114 1.25523
4 3K9W 4PS 0.0006045 0.43639 1.60428
5 3K9W ADE 0.0006045 0.43639 1.60428
6 3NKT 1HN 0.000005739 0.47279 1.67364
7 4JWX 1N4 0.003624 0.43958 1.67364
8 2J5S KTA 0.002083 0.41742 1.67364
9 1SAZ ACP 0.0007264 0.42515 2.51046
10 5DTF 5CT 0.01347 0.43958 2.6087
11 5DS8 GLY 5CT GLY ALA 0.047 0.4084 2.7027
12 1FX8 BOG 0.00005495 0.48014 2.92887
13 2BJF DXC 0.000002533 0.42318 2.92887
14 1G7V PAI 0.0001151 0.42057 2.92887
15 4HPP GLU 0.0001051 0.40623 2.92887
16 4PB2 5UD 0.005049 0.40346 2.92887
17 3CF6 SP1 0.001635 0.42954 2.99401
18 2BMK PDD 0.04094 0.40372 3.09735
19 4FUA PGH 0.001163 0.40194 3.25581
20 1A5Z OXM 0.003528 0.46581 3.34728
21 1A8S PPI 0.0005336 0.46115 3.34728
22 1A5Z FBP 0.000152 0.4539 3.34728
23 2GGH NLQ 0.000001566 0.4533 3.34728
24 1CR1 TTP 0.0002431 0.4358 3.34728
25 1TV5 N8E 0.0008126 0.43226 3.34728
26 1TV5 ORO 0.001327 0.4308 3.34728
27 1V8K ANP 0.00006249 0.42621 3.34728
28 1TV5 A26 0.0006146 0.4245 3.34728
29 4QCK ASD 0.0003121 0.42301 3.34728
30 2WLT ASP 0.0002203 0.41726 3.34728
31 4A8H PUW 0.0001662 0.41587 3.34728
32 1XMV ADP 0.0004576 0.41524 3.34728
33 3NOJ PYR 0.001664 0.45753 3.36134
34 2FR6 CTN 0.00118 0.42638 3.42466
35 4M7F BM3 0.0000266 0.53377 3.53982
36 4IEN GDP 0.0002594 0.42022 3.68098
37 1T26 NAI 0.00002832 0.47879 3.76569
38 1T26 GBD 0.00002832 0.47879 3.76569
39 2NZ2 ASP 0.001124 0.46204 3.76569
40 2NZ2 CIR 0.00001892 0.45687 3.76569
41 1G6O ADP 0.0004719 0.41753 3.76569
42 2NVK NAP 0.01713 0.4097 3.76569
43 3SIX GDP 0.01185 0.40395 3.76569
44 1K6M AGS 0.003389 0.40276 3.76569
45 3TI8 LNV 0.00005465 0.40036 3.76569
46 1EJE FMN 0.006172 0.40028 4.16667
47 2Z5Y HRM 0.00002846 0.44336 4.1841
48 4LHM AZZ 0.01288 0.42005 4.1841
49 1H0C AOA 0.02344 0.4182 4.1841
50 4DA6 GA2 0.0004913 0.41701 4.1841
51 3SHR CMP 0.009247 0.41246 4.1841
52 2QCX PF1 0.02075 0.41055 4.1841
53 1SQ5 ADP 0.008588 0.40962 4.1841
54 1JQN DCO 0.0001863 0.40673 4.1841
55 1FNZ A2G 0.0002138 0.43995 4.21941
56 1Z34 2FD 0.0003104 0.42018 4.25532
57 1UOU CMU 0.0003341 0.4611 4.60251
58 3K3G MMU 0.02461 0.40486 4.60251
59 3NJQ NJQ 0.0003639 0.41744 4.66321
60 1YRX FMN 0.004745 0.41583 4.95868
61 2GN2 C5P 0.00003122 0.48928 5.02092
62 1WVC CTP 0.0004847 0.43439 5.02092
63 2ZO9 MLI 0.004058 0.42505 5.02092
64 3FS8 ACO 0.002296 0.41294 5.02092
65 1Y0L HAN 0.02042 0.43704 5.30973
66 3DUR KDO 0.006553 0.43349 5.35714
67 3VOZ 04A 0.001181 0.43055 5.43933
68 1LSS NAD 0.002109 0.40988 5.71429
69 1N6B DMZ 0.00008549 0.42154 5.85774
70 2JE7 XMM 0.00001678 0.41994 5.85774
71 3A1I UNU 0.009671 0.41165 5.85774
72 4KCT FDP 0.01457 0.40031 5.85774
73 1UGX GAL MGC 0.000004102 0.46807 6.01504
74 2YP9 SIA CMO 0.0005169 0.44625 6.27615
75 3VGL ANP 0.00003329 0.41175 6.27615
76 1KTC NGA 0.0196 0.40709 6.27615
77 1ZJ6 G3D 0.002717 0.42985 6.41711
78 3CKZ ZMR 0.0001042 0.42423 6.69456
79 2C9O ADP 0.000136 0.41352 6.69456
80 1YBQ BDH 0.000001896 0.45101 7.11297
81 4MOB ADP 0.0009241 0.43673 7.11297
82 1ONX ASP 0.0002249 0.42386 7.11297
83 2PP3 LGT 0.0005645 0.40996 7.11297
84 1J2Z SOG 0.001285 0.43134 7.53138
85 4Q3S X7A 0.001302 0.40352 7.53138
86 3KPE TM3 0.01816 0.41822 7.69231
87 4P87 4NP 0.000003975 0.47768 7.94979
88 1VCO GLN 0.00001028 0.46501 7.94979
89 4AAW R84 0.0008397 0.40477 7.94979
90 2WMO GTP 0.0119 0.4001 7.94979
91 4OB6 S2T 0.001435 0.4317 8.3682
92 4G4S LDZ 0.004879 0.40759 9.01288
93 3DJL FAD 0.001369 0.41775 9.20502
94 2W3L DRO 0.04206 0.41674 9.72222
95 3IBH GSH 0.001151 0.42279 9.87124
96 5T63 ALA ALA ALA ALA 0.000364 0.43216 10.0418
97 2F59 INI 0.001109 0.42736 10.828
98 4HE2 AMP 0.00004454 0.43035 11.2971
99 4NTX AMR 0.01403 0.41591 11.2971
100 1WKL ADP 0.0002167 0.45309 11.6788
101 1WKL ATP 0.0005358 0.43883 11.6788
102 4QN6 LNV 0.00005832 0.40532 11.7155
103 3UXL CFI 0.00001128 0.41044 12.1339
104 1YOA FAD 0.0005774 0.42541 13.2075
105 3NGU ADP 0.0009417 0.44343 13.245
106 4KS1 2H8 0.00006134 0.43313 13.3891
107 43CA NPO 0.04975 0.42985 14.5299
108 4AF0 MOA 0.00002386 0.40648 14.6444
109 1E5F PLP 0.001694 0.42895 15.4812
110 1D09 PAL 0.002054 0.42344 17.5732
111 3QP4 HL0 0.009224 0.40077 17.5824
112 1RSD PSB 0.0001722 0.47752 18.1818
113 5RHN 8BR 0.004141 0.4141 20
114 1O6B ADP 0.0002034 0.41943 24.2604
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