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Receptor
PDB id Resolution Class Description Source Keywords
5CG1 2.07 Å EC: 1.3.1.9 CRYSTAL STRUCTURE OF E. COLI FABI BOUND TO THE CARBAMOYLATED BENZODIAZABORINE INHIBITOR 14B. ESCHERICHIA COLI (STRAIN K12) ANTIBIOTICS NAD ENOYL-ACP REDUCTASE OXIDOREDUCATASE- OXIDOREDUCATASE INHIBITOR COMPLEX OXIDOREDUCTASE-OXIDOREDUINHIBITOR COMPLEX
Ref.: CRYSTALLOGRAPHIC INSIGHTS INTO THE STRUCTURE-ACTIVI RELATIONSHIPS OF DIAZABORINE ENOYL-ACP REDUCTASE IN ACTA CRYSTALLOGR.,SECT.F V. 71 1521 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAD BBN B:500;
A:500;
Valid;
Valid;
none;
none;
submit data n/a n/a n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5CG1 2.07 Å EC: 1.3.1.9 CRYSTAL STRUCTURE OF E. COLI FABI BOUND TO THE CARBAMOYLATED BENZODIAZABORINE INHIBITOR 14B. ESCHERICHIA COLI (STRAIN K12) ANTIBIOTICS NAD ENOYL-ACP REDUCTASE OXIDOREDUCATASE- OXIDOREDUCATASE INHIBITOR COMPLEX OXIDOREDUCTASE-OXIDOREDUINHIBITOR COMPLEX
Ref.: CRYSTALLOGRAPHIC INSIGHTS INTO THE STRUCTURE-ACTIVI RELATIONSHIPS OF DIAZABORINE ENOYL-ACP REDUCTASE IN ACTA CRYSTALLOGR.,SECT.F V. 71 1521 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 5CG1 - NAD BBN n/a n/a
2 5CG2 - NAD CJ3 n/a n/a
70% Homology Family (25)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 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 4BKU - 1S5 C19 H26 N2 O2 CCCCCCC1=C....
19 5I8W Ki = 55 nM 69H C19 H23 F O2 CCCCCCc1cc....
20 5I9M Ki = 55 nM 69K C14 H14 F N O2 CCc1cc(c(c....
21 5I8Z Ki = 158 nM JA1 C18 H21 N O4 CCCCCCc1cc....
22 5I7S Ki = 32 nM E9P C14 H14 O2 CCc1ccc(c(....
23 5I9L Ki = 153 nM 9W7 C14 H11 Cl F N O4 CCc1cc(c(c....
24 5CG1 - NAD BBN n/a n/a
25 5CG2 - NAD CJ3 n/a n/a
50% Homology Family (143)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 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 4BNK Ki = 1.42 nM FPL C12 H9 F O2 c1ccc(cc1)....
19 4ALI - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
20 4CV0 - PT6 C19 H20 N2 O2 S Cc1c(cccc1....
21 4D41 Ki = 0.05 nM JA1 C18 H21 N O4 CCCCCCc1cc....
22 4BNG Ki = 0.04 nM 5PP C17 H20 O2 CCCCCc1ccc....
23 4BNL Ki = 110 pM W1G C15 H14 O2 C=CCc1ccc(....
24 4D45 Ki = 0.17 nM J47 C13 H7 Br Cl N O2 c1cc(c(cc1....
25 4BNM - TCU C19 H24 O2 CCCCCCc1cc....
26 4ALK - GLU C5 H9 N O4 C(CC(=O)O)....
27 3GR6 Kd = 18.6 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
28 4BNH Ki = 10 pM 6PN C18 H22 O2 CCCCCCc1cc....
29 4BNI Ki = 120 pM P1F C18 H23 N O2 CCCCCCc1cc....
30 4BNN Ki = 120 pM JUS C19 H21 N O2 CCCCCCc1cc....
31 4CV1 - PT6 C19 H20 N2 O2 S Cc1c(cccc1....
32 4BNJ Ki = 380 pM MJ5 C13 H12 O2 Cc1ccc(c(c....
33 4FS3 Ki = 12.8 nM 0WE C22 H23 N3 O3 Cc1c2ccccc....
34 4D44 Ki = 0.35 nM JA3 C13 H11 F2 N O2 CCc1cc(c(c....
35 4D43 Ki = 0.75 nM 9W7 C14 H11 Cl F N O4 CCc1cc(c(c....
36 4ALJ - GLU C5 H9 N O4 C(CC(=O)O)....
37 4BNF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
38 4D42 Ki = 0.01 nM W0I C18 H21 F O2 CCCCCCc1cc....
39 5CPB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
40 5MTR Ki = 350 nM XT0 C21 H20 N4 O2 c1ccc(c(c1....
41 4BGI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
42 4OHU Ki = 0.2 nM 2TK C18 H21 Br O2 CCCCCCc1cc....
43 4OIM Ki = 2.14 nM JUS C19 H21 N O2 CCCCCCc1cc....
44 2IDZ Kd < 0.4 nM ZID C27 H30 N8 O15 P2 c1cnccc1C(....
45 2AQH Kd = 14.9 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
46 6EP8 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 4BII - PYW C27 H32 N4 O8 CC/C(=C1/C....
48 3FNG ic50 = 110 nM JPL C19 H20 Cl2 O2 c1cc(c(cc1....
49 2H9I - EAD C29 H36 N8 O15 P2 CCc1cc(ccn....
50 5OIC ic50 < 1 mM 9VQ C11 H12 N2 O c1cnn(c1)C....
51 1ENY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
52 2NSD ic50 = 5.16 uM 4PI C20 H23 N O Cc1ccc(cc1....
53 2X23 Ki = 7.8 nM TCU C19 H24 O2 CCCCCCc1cc....
54 5G0U ic50 = 0.297 uM 9CV C30 H31 F N6 O2 CNC(=O)c1c....
55 4TRN - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
56 5OIM ic50 = 790 uM 9VZ C11 H15 N O2 S CCOC(=O)[C....
57 2X22 Ki = 7.8 nM TCU C19 H24 O2 CCCCCCc1cc....
58 4DQU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
59 2IE0 - ZID C27 H30 N8 O15 P2 c1cnccc1C(....
60 4U0J ic50 = 10.66 uM 566 C17 H22 N2 O2 c1ccc(cc1)....
61 4COD ic50 = 34 nM KV1 C23 H27 N5 O4 CCc1cc(n(n....
62 5COQ Ki = 427.5 nM TCU C19 H24 O2 CCCCCCc1cc....
63 2AQ8 Kd = 2.5 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
64 4TZK ic50 = 0.39 uM 641 C17 H20 Cl2 N2 O2 c1c(cc(cc1....
65 4QXM ic50 = 0.05 uM 713 C20 H19 Cl F N3 O Cc1cc(n(n1....
66 4BGE - PYW C27 H32 N4 O8 CC/C(=C1/C....
67 2PR2 Ki = 130 nM DG1 C27 H33 N8 O18 P3 c1cnccc1C(....
68 5OIR Kd = 6.3 uM 9W8 C16 H20 N4 O CC1=CC(=O)....
69 2NTJ Ki = 2 nM P1H C30 H38 N8 O15 P2 CCCc1cc(cc....
70 5G0W ic50 = 16.3 uM 9NU C32 H40 N6 O5 C[C@H]([C@....
71 5MTP Ki = 610 nM 53K C22 H19 N3 O2 Cc1ccccc1O....
72 4TRJ ic50 = 0.89 uM 665 C17 H21 Br N2 O2 c1cc(cc(c1....
73 3FNF ic50 = 51 nM JPM C19 H14 Cl2 O2 c1ccc(cc1)....
74 4BQR ic50 = 0.2 uM IBH C16 H14 F2 N4 O2 S2 Cc1csc(n1)....
75 5VRM - 9JJ C35 H37 B F3 N7 O17 P2 B1(c2cc(cc....
76 4BQP Kd = 13.7 nM VMY C18 H16 F2 N6 O S2 Cc1csc(n1)....
77 5OIS ic50 = 500 nM 9WK C19 H18 Cl F N4 O Cc1cc(n(n1....
78 4OXK Ki = 40 nM 1S5 C19 H26 N2 O2 CCCCCCC1=C....
79 5UGU Ki = 370 nM XTV C19 H16 N4 O2 c1ccc(c(c1....
80 5OIP ic50 = 79 uM 9WE C16 H20 N6 O c1cc(cnc1)....
81 4OYR Ki = 0.96 nM 1US C18 H21 Cl O2 CCCCCCc1cc....
82 4DTI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
83 3OF2 Kd = 4.7 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
84 3OEY Kd = 3.5 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
85 2AQI Kd = 32 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
86 5G0S ic50 = 0.065 uM EEH C33 H40 N4 O4 S Cc1c2ccccc....
87 2NV6 ic50 = 323 nM ZID C27 H30 N8 O15 P2 c1cnccc1C(....
88 4U0K ic50 = 0.97 uM 744 C18 H23 Cl N2 O2 Cc1ccc(cc1....
89 4DRE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
90 4TRO Ki = 0.75 nM NAD ZID n/a n/a
91 2AQK Kd = 23 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
92 5OIF ic50 = 500 uM 9W5 C11 H13 N3 Cc1cc(n(n1....
93 5G0V ic50 = 5.917 uM JDD C24 H28 N6 O2 CNC(=O)CN(....
94 5G0T ic50 = 0.057 uM S72 C29 H35 F N6 O3 Cc1c(nnn1C....
95 2NTV Ki = 11 nM P1H C30 H38 N8 O15 P2 CCCc1cc(cc....
96 4OXY Ki = 129 nM 1TN C18 H21 N O4 CCCCCCc1cc....
97 2IEB - ZID C27 H30 N8 O15 P2 c1cnccc1C(....
98 3FNE ic50 = 29 nM 8PC C18 H13 Cl2 N O2 c1ccnc(c1)....
99 2B35 Ki = 0.22 uM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
100 4TZT ic50 = 23.12 uM 468 C18 H23 Cl N2 O2 Cc1c(cccc1....
101 4OXN Ki = 40 nM 1S5 C19 H26 N2 O2 CCCCCCC1=C....
102 5CP8 Ki = 1570.6 nM TCU C19 H24 O2 CCCCCCc1cc....
103 3OEW Kd = 1.5 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
104 1D7O - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
105 1CWU - NAD TDB n/a n/a
106 1ENO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
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 2WYV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
114 2WYW - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
115 2ZTV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
116 3LT4 Ki = 0.1 uM FB4 C12 H9 Cl2 N O2 c1cc(c(cc1....
117 3AM4 ic50 = 97 nM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
118 2O2Y Ki = 0.4 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
119 1VRW - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
120 1UH5 - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
121 3AM3 Ki = 28 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
122 3LT1 Ki = 0.32 uM FT2 C13 H9 Cl3 O2 c1cc(c(cc1....
123 4IGE ic50 = 0.25 uM CHJ C16 H11 Cl O4 CC1=CC(=O)....
124 2OL4 ic50 = 440 nM JPN C21 H18 Cl2 O2 c1ccc(cc1)....
125 3LT0 Ki = 0.18 uM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
126 3AM5 Ki = 38 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
127 4IGF ic50 = 6 uM CHV C15 H9 Cl O5 c1cc2c(cc1....
128 1ZK1 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
129 2WSB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
130 5CG1 - NAD BBN n/a n/a
131 5CG2 - NAD CJ3 n/a n/a
132 5OVL - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
133 5YCS - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
134 2QIO ic50 = 3.6 uM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
135 3OJF ic50 = 0.06 uM IMJ C23 H24 N4 O2 Cc1c(c2ccc....
136 5YCR - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
137 3OIG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
138 4O1M - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
139 3OID - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
140 2PD4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
141 2PD3 - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
142 1EDO - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
143 4Q9N ic50 = 0.95 uM 0WE C22 H23 N3 O3 Cc1c2ccccc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAD BBN; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5CG1; Ligand: NAD BBN; Similar sites found with APoc: 461
This union binding pocket(no: 1) in the query (biounit: 5cg1.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 3KO0 TFP None
2 2UYQ SAM 1.31148
3 1RJD SAM 1.31148
4 1KEW NAD 1.63934
5 1KEW TYD 1.63934
6 3H5N ATP 1.63934
7 3R4S SLB 1.63934
8 4XB2 NDP 1.63934
9 2B4R NAD 1.63934
10 3G5S GSH 1.63934
11 5TC4 NAD 1.63934
12 2X1L ADN 1.63934
13 1DKU AP2 1.63934
14 3O7W SAM 1.70068
15 5OOH NAP 1.94175
16 5OOH 9ZZ 1.94175
17 3ABI NAD 1.96721
18 1BW9 NAD 1.96721
19 5EIN NAP 1.96721
20 2C5A GDC 1.96721
21 2C5A NAD 1.96721
22 5H81 NAP 1.96721
23 1UDB NAD 1.96721
24 1UDB UFG 1.96721
25 5O9F NAD 1.98864
26 5O9F 9ON 1.98864
27 5N2I NAP 2.15517
28 1QCI ADE 2.29008
29 6DNT NAD 2.29508
30 1BXK NAD 2.29508
31 1SB8 UD2 2.29508
32 1Y1P NMN AMP PO4 2.29508
33 2GZ3 NAP 2.29508
34 1RZM E4P 2.29508
35 1HYE NAP 2.29508
36 4GKV NAD 2.29508
37 3VPH OXM 2.29508
38 1SB8 NAD 2.29508
39 4XDY NAI 2.29508
40 4NTO 1PW 2.41546
41 4E13 NAD 2.4735
42 2WA2 SAM 2.53623
43 5MSO NAP 2.62295
44 2GN4 NDP 2.62295
45 2GN4 UD1 2.62295
46 1RKX NAD 2.62295
47 3HB5 NAP 2.62295
48 1V6A TRE 2.62295
49 2IZ1 ATR 2.62295
50 1WVG APR 2.62295
51 3L9W AMP 2.62295
52 4D3F NAP 2.62295
53 1KYZ SAH 2.62295
54 4OM8 NAD 2.62295
55 1UXG NAD 2.62295
56 1UXG FUM 2.62295
57 4RP9 ASC 2.62295
58 4N49 SAM 2.62295
59 3HAD NAD 2.62295
60 5LD5 NAD 2.62295
61 3FSY SCA 2.62295
62 5E9W SAH 2.62295
63 1O6Z NAD 2.64026
64 1K3A ACP 2.67559
65 3B1F NAD 2.75862
66 3BP1 GUN 2.75862
67 1A27 NAP 2.76817
68 4J7U YTZ 2.77778
69 4J7U NAP 2.77778
70 1Z6Z NAP 2.83688
71 5O98 NAP 2.95082
72 2FR1 NDP 2.95082
73 1E7S NAP 2.95082
74 4U7W NDP 2.95082
75 1GV0 NAD 2.95082
76 1GUZ NAD 2.95082
77 3C1O NAP 2.95082
78 1OMO NAD 2.95082
79 1T26 NAI 2.95082
80 1T26 GBD 2.95082
81 1GAD NAD 2.95082
82 4GLW 0XT 2.95082
83 4PLT NAI 3.02115
84 4PLT OXM 3.02115
85 5GT9 NAP 3.04183
86 1T3D CYS 3.11419
87 4RDH AMP 3.125
88 1VMK GUN 3.2491
89 1TZD ADP 3.27273
90 5Y1G AKB 3.27869
91 5IN4 6CK 3.27869
92 5Y1G NAD 3.27869
93 5IN4 GDP 3.27869
94 5IN4 NAP 3.27869
95 5Z75 NAD 3.27869
96 4G5H UD7 3.27869
97 4G5H NAP 3.27869
98 5ZEC NAP 3.27869
99 2Q1S NAI 3.27869
100 5XWV 8H6 3.27869
101 5XWV NDP 3.27869
102 1E5Q NDP 3.27869
103 6C4N NAP 3.27869
104 1SC6 NAD 3.27869
105 6CEP OXM 3.27869
106 6CEP NAD 3.27869
107 2JHF NAD 3.27869
108 3LKZ SFG 3.27869
109 1KYQ NAD 3.28467
110 5OJL TXP 3.3557
111 5ZZ6 NAD 3.36538
112 5ZZ6 ADP 3.36538
113 1U7T TDT 3.44828
114 1U7T NAD 3.44828
115 3RJ5 NAD 3.54331
116 2Q46 NAP 3.55731
117 3WMX NAD 3.60656
118 6EL3 NAP 3.60656
119 4Y9D NAI 3.60656
120 3I6I NDP 3.60656
121 5MPT SAH 3.60656
122 2PZM UDP 3.60656
123 2PZM NAD 3.60656
124 5YB7 FAD 3.60656
125 1H9A NAP 3.60656
126 5YB7 ORN 3.60656
127 3CIF NAD 3.60656
128 5TEF GTG 3.60656
129 3CIF G3H 3.60656
130 3GGO NAI 3.60656
131 3GGO ENO 3.60656
132 5AYV NAP 3.60656
133 6C4M NAP 3.60656
134 1DIG NAP 3.60656
135 1DSS NAD 3.60656
136 5L4L NAP 3.61842
137 5L4L 7OX 3.61842
138 5ME4 HP4 3.64964
139 2VT3 ATP 3.72093
140 1RL4 BL5 3.7234
141 1ZQ9 SAM 3.85965
142 6BWL NAD 3.93443
143 1ORR NAD 3.93443
144 5K4W NAI 3.93443
145 5K4W THR 3.93443
146 2Q1W NAD 3.93443
147 6C4T NA7 3.93443
148 1WDK NAD 3.93443
149 5WP5 SAH 3.93443
150 6AA8 NAD 3.97351
151 4JGP PYR 4.14747
152 2EXX NAP 4.24837
153 3GCZ SAM 4.25532
154 4HXY NDP 4.2623
155 1GZ6 NAI 4.2623
156 1RPN NDP 4.2623
157 2ZWA SAH 4.2623
158 5KVS NAP 4.2623
159 2QZZ EMF 4.2623
160 2QZZ NAP 4.2623
161 1UWK URO 4.2623
162 1UWK NAD 4.2623
163 5UR0 NAD 4.2623
164 3ORF NAD 4.38247
165 2DTJ THR 4.49438
166 3AB4 THR 4.49438
167 1UAY ADN 4.54545
168 5E8J SAH 4.54545
169 1Z45 NAD 4.59016
170 1LTH NAD 4.59016
171 6D6Y SAH 4.59016
172 2C29 NAP 4.59016
173 2P41 SAH 4.59016
174 1SOW NAD 4.59016
175 2C29 DQH 4.59016
176 4GK9 MAN BMA MAN MAN MAN 4.6595
177 1WMA AB3 4.71014
178 1WMA NDP 4.71014
179 4QTU SAM 4.80769
180 1RJW ETF 4.91803
181 1HDR NAD 4.91803
182 1NVM NAD 4.91803
183 1I36 NAP 4.92424
184 5X9D 80F 4.93421
185 2WW4 ADP 4.947
186 4YAC NAI 5.05051
187 5CGE 51F 5.05415
188 3EVG SAH 5.09091
189 1QRD FAD 5.12821
190 1VL0 NAI 5.13699
191 3H8V ATP 5.13699
192 4PIV NDP 5.2459
193 2I3G NAP 5.2459
194 4ZVV NAD 5.2459
195 4ZVV GN0 5.2459
196 1LLU NAD 5.2459
197 5L95 AMP 5.37634
198 4ZRN NAD 5.57377
199 4ZRN UPG 5.57377
200 1ZBQ NAD 5.57377
201 3A4V PYR 5.57377
202 3A4V NAD 5.57377
203 2VUT NAD 5.57377
204 1TI7 NAP 5.57377
205 9LDT NAD 5.57377
206 3V1Y NAD 5.57377
207 9LDB NAD 5.57377
208 3WLE NAD 5.57377
209 1R6D NAD 5.63798
210 1R6D DAU 5.63798
211 2VDV SAM 5.69106
212 6GR0 F8W 5.74713
213 1T0I FMN 5.75916
214 5BSH PRO 5.77617
215 1N7G NDP 5.90164
216 4J1Q NDP 5.90164
217 1N7G GDR 5.90164
218 1ZGA SAH 5.90164
219 3ULK NDP 5.90164
220 2VYN NAD 6.0423
221 3KO8 NAD 6.22951
222 1EBF NAD 6.22951
223 3LU1 NAD 6.31868
224 2XVM SAH 6.53266
225 4GLL NAD 6.55738
226 1GY8 NAD 6.55738
227 5DF1 58X 6.55738
228 5DF1 NAP 6.55738
229 2D7I UDP 6.55738
230 1LDN NAD 6.55738
231 4PVD NDP 6.88525
232 3TDC 0EU 6.88525
233 4PLG OXM 6.88525
234 4PLG NAI 6.88525
235 1N5D NDP 6.94444
236 1H5R G1P 7.16724
237 5UAV TFB 7.21311
238 5UAV NDP 7.21311
239 1S14 NOV 7.2165
240 1OAA OAA 7.33591
241 1EK6 NAI 7.54098
242 1EK6 UPG 7.54098
243 1OC2 TDX 7.54098
244 1OC2 NAD 7.54098
245 1EQ2 NAP 7.54098
246 1LDM NAD 7.54098
247 1PZG A3D 7.54098
248 1ZK7 FAD 7.54098
249 2AG8 NAP 7.60456
250 3GD8 GOL 7.62332
251 2HMT NAI 7.63889
252 5THZ SAH 7.65432
253 5WQP NAP 7.69231
254 5WQP NCA 7.69231
255 4R1S NAP 7.86885
256 2HJR APR 7.86885
257 5WXU FLC 7.86885
258 2YY7 NAD 8.19672
259 5JAQ NAI 8.52459
260 1PJS NAD 8.85246
261 2G5C NAD 8.8968
262 6FDF SAH 9.5082
263 2QES ADE 9.57854
264 4XQC NAD 9.83607
265 4XQC 13D 9.83607
266 2F1K NAP 10.0358
267 5FI3 NAP 10.084
268 5ZWP GSH 10.0962
269 5THY SAH 10.1639
270 2BKA NDP 10.3306
271 5YEC ATP 10.4918
272 1NYT NAP 10.7011
273 3VPB GLU 10.7143
274 6D5V FVY 10.7784
275 6D5J FV4 10.7784
276 6D5M FW4 10.7784
277 6D5L FW7 10.7784
278 6D5H FV7 10.7784
279 6D56 FVM 10.7784
280 4OEV OXL 10.8197
281 1CER NAD 10.8197
282 1OFZ FUC 11.1475
283 4BCQ TJF 11.4504
284 2RCA GLY 11.4754
285 3UKR CKH 11.4754
286 5F5N NAD 11.7647
287 2BD0 NAP 11.8852
288 3O26 NDP 12.1311
289 1PL6 NAD 12.1311
290 2RC8 DSN 12.2449
291 3RFV NAI 12.7341
292 3RFV 15L 12.7341
293 1E3W NAD 13.0268
294 1E6W NAD 13.0769
295 6HKE LMR 13.1148
296 6HKE MLT 13.1148
297 5MLR NAP 13.4426
298 5MLR GRQ 13.4426
299 3TN7 NJP 13.6187
300 2DKN NAI 13.7255
301 1HYH NAD 14.0984
302 1XXA ARG 14.1026
303 2PK3 A2R 15.4098
304 1XSE NDP 15.5932
305 1LSS NAD 15.7143
306 5L4S NAP 16.0656
307 5L4S 6KX 16.0656
308 4D79 ATP 16.3043
309 5L53 NAP 16.3934
310 1NFQ NAI 16.5385
311 4NBT NAD 16.6667
312 4TQG NDP 17.0492
313 2V6G NAP 17.377
314 2JL1 NAP 17.4216
315 4NBW NAD 17.5097
316 5EJ2 NAD 17.5325
317 1X1T NAD 17.6923
318 2HK9 ATR 17.8182
319 2X6T NAP 18.0328
320 1FK8 NAD 18.2879
321 3VZS NAP 18.2879
322 3VZS CAA 18.2879
323 1I2B USQ 18.6885
324 1I2B NAD 18.6885
325 1I2B UPG 18.6885
326 6C74 PC 18.9189
327 4ZA2 NAD 19.7628
328 5TG5 JW8 20.4082
329 4EUE NAI 20.9836
330 1XG5 NAP 22.2222
331 2OOR NAD 22.4138
332 1SQL GUN 22.6027
333 4K26 SFF 22.8261
334 4K26 NDP 22.8261
335 1SNY NAP 25.0936
336 3GEG NAD 25.1012
337 3CH6 311 25.1748
338 3CH6 NAP 25.1748
339 3WXB NDP 26.1649
340 5BJX NAD 27.2131
341 5BJX UDP 27.2131
342 4YAG NAI 28.0277
343 2ZAT NAP 28.0769
344 2CFC NAD 30.4
345 5GWT SIN 31.295
346 5GWT NAD 31.295
347 1IY8 NAD 32.5843
348 2JAH NDP 34.413
349 2GDZ NAD 35.206
350 2JAP NDP 35.2227
351 3V1U NAD 35.4098
352 4QED NAP 35.4839
353 1GEG NAD 36.7188
354 4OSP NAP 37.6426
355 1ZK4 NAP 38.247
356 1ZK4 AC0 38.247
357 1YXM ADE 38.2838
358 3H4V DVP 38.8889
359 3H4V NAP 38.8889
360 1BDB NAD 38.9892
361 4ITU NAI 39.4052
362 4ITU 1HS 39.4052
363 3ZV6 NAD 39.5018
364 3ZV6 4HB 39.5018
365 1G0N NDP 39.576
366 1G0N PHH 39.576
367 2Q2V NAD 39.6078
368 1W73 NAP 39.7351
369 1W8D NAP 39.7351
370 5O42 9JW 39.781
371 5O42 BGC 39.781
372 5O42 NAD 39.781
373 6F9Q NAD 40.4412
374 3SJU NDP 40.5018
375 4O0L NDP 40.7273
376 1W6U NAP 40.7285
377 3RKR NAP 40.8397
378 2B4Q NAP 40.942
379 1GEE NAD 40.9962
380 2BGM NAJ 41.0072
381 4KWI 1TJ 41.0646
382 4KWI NAP 41.0646
383 3A28 NAD 41.0853
384 6CI9 NAP 41.3127
385 4URF NAD 41.5323
386 4URF 1PS 41.5323
387 3U4C NDP 41.637
388 1XKQ NDP 41.7857
389 2WD7 NAP 41.791
390 2VZ0 D64 41.791
391 2VZ0 NAP 41.791
392 5YSS NAD 41.7969
393 4CQM NAP 41.8033
394 2AE2 NAP 41.9231
395 2AE2 PTO 41.9231
396 1MXH DHF 42.029
397 1MXH NAP 42.029
398 3QWI NAP 42.2222
399 3QWI CUE 42.2222
400 2RH4 EMO 42.2383
401 3O03 NAP 42.268
402 5OJI NAP 42.3077
403 5OJI ISN 42.3077
404 1ZEM NAD 42.3664
405 1JA9 NDP 42.7007
406 3AY6 NAI 42.7509
407 3AY6 BGC 42.7509
408 5G4L NDP 43.007
409 4RF2 NAP 43.0147
410 1H5Q NAP 43.0189
411 1XHL NDP 43.0976
412 4NBU NAI 43.2
413 1UZN NAP 43.3198
414 4FC7 NAP 43.3213
415 4FC7 COA 43.3213
416 3BMO NAP 43.4028
417 4CM8 NAP 43.4028
418 5JDI NAP 43.4028
419 4CM9 NAP 43.4028
420 5JDC NAP 43.4028
421 4CLR NAP 43.4028
422 5JCJ NAP 43.4028
423 4CMI NAP 43.4028
424 3JQF NAP 43.4028
425 4CM4 NAP 43.4028
426 3BMQ NAP 43.4028
427 3JQG NAP 43.4028
428 3BMN NAP 43.4028
429 3JQB NAP 43.4028
430 3JQA NAP 43.4028
431 5K6A NAP 43.4028
432 4CME NAP 43.4028
433 3JQ9 NAP 43.4028
434 3JQ7 NAP 43.4028
435 4CLO NAP 43.4028
436 3JQ8 NAP 43.4028
437 1VL8 NAP 43.4457
438 1AE1 NAP 43.5897
439 3SJ7 NDP 43.6508
440 5Z2L NDP 43.6735
441 1HDC CBO 43.7008
442 3AFN NAP 43.7985
443 3ICC NAP 43.9216
444 3NUG NAD 44.1296
445 5OVK NDP 44.1406
446 1O5I NAD 44.1767
447 5B4T NAD 44.2308
448 5B4T 3HR 44.2308
449 5FEU NAP 44.6735
450 2DTX BMA 44.697
451 5FFF NAP 45.1362
452 5FFF 5XC 45.1362
453 5THQ NDP 45.2206
454 2AG5 NAD 45.5285
455 5EPO NAP 46.5649
456 1Q7B NAP 47.1311
457 4FN4 NAD 47.2441
458 2EWM NAD 47.3896
459 5T2U NAP 49.1936
460 1PR9 NAP 49.5902
461 3D3W NAP 49.5902
Pocket No.: 2; Query (leader) PDB : 5CG1; Ligand: NAD BBN; Similar sites found with APoc: 43
This union binding pocket(no: 2) in the query (biounit: 5cg1.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 3QX9 ATP None
2 3DOO SKM 1.80505
3 2FZW NAD 1.96721
4 2VHW NAI 1.96721
5 1VI2 NAD 2.33333
6 4E5N NAD 2.62295
7 1Z0N BCD 3.125
8 3WXL ADP 3.27869
9 3TWO NDP 3.27869
10 1D1T NAD 3.27869
11 1U3U BNF 3.27869
12 1U3U NAD 3.27869
13 2V57 PRL 3.60656
14 2HHP FLC 3.60656
15 4ZFL 4NK 3.84615
16 3UBM COA 3.93443
17 5W3K NDP 3.93443
18 5W3K 9TY 3.93443
19 1E1M FAD 3.93443
20 1E1M NAP 3.93443
21 4Z0H NAD 4.2623
22 2PCU ASP 4.59016
23 3MAN BMA BMA MAN 4.96689
24 4KQW NAP 5.2459
25 1GR0 NAD 5.57377
26 1H2B NAJ 5.57377
27 4JLS 3ZE 5.92105
28 5JE8 NAD 6.29139
29 1GPM AMP 7.21311
30 3KP6 SAL 7.28477
31 5TVI O8N 7.6087
32 1JAY NAP 8.01887
33 1YJQ NAP 8.52459
34 2DBZ NAP 9.18033
35 2VJM COA 10.4918
36 5N6C NAD 11.3333
37 5T9F TYR 11.4391
38 5T9F NAP 11.4391
39 1PL6 572 12.1311
40 2EV9 SKM 12.5475
41 3LA3 2FT 16.8724
42 2HK9 SKM 17.8182
43 2XKO AKG 22.5225
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