Receptor
PDB id Resolution Class Description Source Keywords
1XKQ 2.1 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF SHORT-CHAIN DEHYDROGENASE/REDUCTASE OF UNKNOWN FUNCTION FROM CAENORHABDITIS ELEGANS WITH COFACTOR CAENORHABDITIS ELEGANS PARRALLEL BETA-SHEET OF SEVEN STRANDS IN THE ORDER 3214567; THREE ALPHA-HELICES ON EITHER SIDE OF BETA-SHEET; SEVENTH ALPHA-HELIX ON TOP OF BETA-SHEET STRUCTURAL GENOMICS PSIPROTEIN STRUCTURE INITIATIVE SOUTHEAST COLLABORATORY FOR STRUCTURAL GENOMICS SECSG UNKNOWN FUNCTION
Ref.: CRYSTAL STRUCTURE OF SHORT-CHAIN DEHYDROGENASE/REDUCTASE OF UNKNOWN FUNCTION FROM CAENORHABDITIS ELEGANS WITH COFACTOR TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NDP A:1281;
B:2281;
C:3281;
D:4281;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1XKQ 2.1 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF SHORT-CHAIN DEHYDROGENASE/REDUCTASE OF UNKNOWN FUNCTION FROM CAENORHABDITIS ELEGANS WITH COFACTOR CAENORHABDITIS ELEGANS PARRALLEL BETA-SHEET OF SEVEN STRANDS IN THE ORDER 3214567; THREE ALPHA-HELICES ON EITHER SIDE OF BETA-SHEET; SEVENTH ALPHA-HELIX ON TOP OF BETA-SHEET STRUCTURAL GENOMICS PSIPROTEIN STRUCTURE INITIATIVE SOUTHEAST COLLABORATORY FOR STRUCTURAL GENOMICS SECSG UNKNOWN FUNCTION
Ref.: CRYSTAL STRUCTURE OF SHORT-CHAIN DEHYDROGENASE/REDUCTASE OF UNKNOWN FUNCTION FROM CAENORHABDITIS ELEGANS WITH COFACTOR TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 1XKQ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 217 families.
1 1XKQ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 1XHL - TNE C8 H13 N O CN1[C@H]2C....
50% Homology Family (89)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 1E6W - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1VL8 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 3A28 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 1X7G - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 2RH4 Ki = 15 uM EMO C15 H10 O5 Cc1cc2c(c(....
6 2RHR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 3RI3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
8 2RHC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
9 1Q7B Kd = 3.5 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
10 1Q7C - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
11 1GEG - GLC C6 H12 O6 C([C@@H]1[....
12 3VZS - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
13 4N5N - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 4QEC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
15 4QED - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
16 3AY6 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
17 3AUU - BGC C6 H12 O6 C([C@@H]1[....
18 3AUT - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
19 4BNT ic50 = 137.69 uM 36E C8 H5 F3 N2 c1ccc2c(c1....
20 4BNY ic50 = 0.08 uM 36I C16 H15 N3 O S c1ccc(cc1)....
21 4BNV ic50 = 0.03 uM Q7U C15 H13 Cl N4 O Cn1c2ccccc....
22 4BO1 ic50 = 0.05 uM NKH C18 H15 Cl N2 O3 COc1cc(c(c....
23 4AG3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
24 4BO2 ic50 = 0.05 uM 36K C17 H18 N4 O2 CCn1c2cccc....
25 4BNX ic50 = 0.02 uM O74 C20 H14 Cl N3 O c1ccc2c(c1....
26 4BNU ic50 = 0.02 uM 9KQ C16 H11 N5 c1ccc(cc1)....
27 4BO3 ic50 = 0.3 uM U98 C12 H10 F3 N3 O2 S c1cc(cc(c1....
28 4NBT - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
29 1H5Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
30 1IPE - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
31 1IPF - TNE C8 H13 N O CN1[C@H]2C....
32 1U7T Ki = 425 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
33 1NFF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
34 1NFR - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
35 1XKQ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
36 2ZAT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
37 1O5I - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
38 2ZTL - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
39 2ZTU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
40 2ZTM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
41 5EN4 Ki = 64 nM 5Q6 C18 H12 F N O4 c1cc(c(c(c....
42 5L7T Ki = 26 nM 6QJ C19 H14 F N O3 Cc1cc(ccc1....
43 5L7W Ki = 11 nM 6QU C18 H11 F2 N O4 c1cc(c(c(c....
44 5ICM - GLC C6 H12 O6 C([C@@H]1[....
45 5JS6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
46 5JSF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 1ZK4 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
48 1ZK0 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
49 1ZJZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50 1ZJY - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
51 3LQF - MRY C4 H10 O4 C([C@H]([C....
52 2WDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
53 4NBW - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
54 1DOH Ki = 2.4 nM NID C9 H5 N O3 c1cc2c(c(c....
55 4GH5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
56 1CYD - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
57 1RWB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
58 1G6K - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
59 1GEE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
60 5EPO - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
61 4URE - 1PS C8 H11 N O3 S c1cc[n+](c....
62 4URF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
63 4KWI - 1TJ C19 H12 O5 Cc1cc2c(c(....
64 4FN4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
65 2CFC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
66 3ICC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
67 1UAY - ADN C10 H13 N5 O4 c1nc(c2c(n....
68 2B4Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
69 1IY8 Ki = 23.8 mM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70 4CR7 - MAN C6 H12 O6 C([C@@H]1[....
71 5ITV - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
72 1AHI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
73 1FMC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
74 5B4T - 3HR C4 H8 O3 C[C@H](CC(....
75 5FFF ic50 = 425 uM 5XC C8 H6 O3 c1cc2c(cc1....
76 3O03 - GCO C6 H12 O7 C([C@H]([C....
77 2DTX - BMA C6 H12 O6 C([C@@H]1[....
78 5FEU - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
79 2AG5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
80 1JA9 Ki = 420 nM PYQ C11 H11 N O c1cc2c3c(c....
81 1AE1 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
82 1PR9 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
83 1WNT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
84 2BGM - NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
85 2GDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
86 1UZN Kd = 11.2 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
87 1HDC Ki = 1 uM CBO C34 H50 O7 CC1([C@@H]....
88 3QWI ic50 = 2.8 uM CUE C15 H8 O5 c1cc2c(cc1....
89 1XHL - TNE C8 H13 N O CN1[C@H]2C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NDP; Similar ligands found: 159
No: Ligand ECFP6 Tc MDL keys Tc
1 NDP 1 1
2 0WD 0.827273 1
3 NAI 0.803738 0.986842
4 NMN AMP PO4 0.794643 0.948052
5 NPW 0.692308 0.962025
6 NZQ 0.686441 0.987013
7 DG1 0.68 1
8 1DG 0.68 1
9 A2R 0.650943 0.909091
10 A22 0.64486 0.934211
11 TXP 0.644628 0.924051
12 ATR 0.640777 0.894737
13 NA7 0.636364 0.886076
14 XNP 0.620968 0.949367
15 AP0 0.598361 0.948718
16 A2P 0.598039 0.881579
17 NJP 0.574803 0.923077
18 25L 0.550847 0.934211
19 ODP 0.550388 0.936709
20 NAX 0.544 0.949367
21 25A 0.53913 0.921053
22 2AM 0.529412 0.87013
23 6V0 0.519685 0.974026
24 NAP 0.514493 0.922078
25 EAD 0.507143 0.949367
26 A2D 0.504673 0.921053
27 TXE 0.503876 0.935897
28 NA0 0.496454 0.910256
29 TXD 0.496124 0.911392
30 SAP 0.495575 0.875
31 AGS 0.495575 0.875
32 P1H 0.493056 0.925926
33 CO7 0.489796 0.791209
34 TAP 0.489362 0.864198
35 PAP 0.482456 0.907895
36 BA3 0.481818 0.921053
37 NAJ PZO 0.478261 0.924051
38 ATP 0.477876 0.921053
39 B4P 0.477477 0.921053
40 ADP 0.477477 0.921053
41 AP5 0.477477 0.921053
42 OAD 0.47541 0.897436
43 5FA 0.473684 0.921053
44 AR6 0.473684 0.896104
45 APR 0.473684 0.896104
46 AQP 0.473684 0.921053
47 AN2 0.473214 0.909091
48 3OD 0.467742 0.897436
49 50T 0.464912 0.884615
50 PO4 PO4 A A A A PO4 0.463415 0.857143
51 V3L 0.461538 0.896104
52 2A5 0.46087 0.85
53 A1R 0.459016 0.841463
54 ADQ 0.459016 0.897436
55 4AD 0.459016 0.875
56 OVE 0.458716 0.8375
57 OMR 0.458647 0.813953
58 PPS 0.457627 0.811765
59 AD9 0.456897 0.897436
60 CA0 0.45614 0.897436
61 M33 0.45614 0.884615
62 ADJ 0.455882 0.879518
63 A3P 0.455357 0.894737
64 ACP 0.452174 0.897436
65 ENP 0.451613 0.85
66 UP5 0.451128 0.948052
67 SRP 0.45 0.8625
68 ANP 0.449153 0.897436
69 ACQ 0.449153 0.897436
70 PRX 0.448276 0.82716
71 5AL 0.445378 0.884615
72 7D4 0.443478 0.8375
73 ADX 0.443478 0.811765
74 AMP 0.436364 0.894737
75 A 0.436364 0.894737
76 4TC 0.433824 0.924051
77 7D3 0.433628 0.8375
78 ETB 0.433566 0.797753
79 DCA 0.433566 0.788889
80 1ZZ 0.433071 0.802326
81 BIS 0.433071 0.864198
82 00A 0.432 0.864198
83 ATF 0.429752 0.886076
84 0T1 0.427586 0.788889
85 5SV 0.427419 0.788235
86 8QN 0.427419 0.884615
87 3AM 0.427273 0.857143
88 N01 0.426573 0.884615
89 PR8 0.425197 0.811765
90 WAQ 0.425197 0.841463
91 LAD 0.425197 0.821429
92 DTP 0.425 0.8375
93 AMO 0.424 0.886076
94 PAJ 0.424 0.843373
95 APC 0.423729 0.886076
96 UPA 0.423358 0.935897
97 48N 0.422222 0.853659
98 FYA 0.421875 0.860759
99 PTJ 0.421875 0.853659
100 CNA 0.421429 0.910256
101 PUA 0.42069 0.9125
102 NXX 0.419118 0.910256
103 DND 0.419118 0.910256
104 AV2 0.418033 0.848101
105 COA 0.417808 0.788889
106 3UK 0.417323 0.897436
107 OOB 0.416 0.909091
108 IVC 0.415584 0.78022
109 DAT 0.415254 0.8375
110 NDO 0.414966 0.897436
111 139 0.414286 0.901235
112 3AT 0.413223 0.896104
113 TAT 0.413223 0.886076
114 YLB 0.413043 0.784091
115 62F 0.4125 0.823529
116 ABM 0.412281 0.848101
117 YAP 0.412214 0.875
118 YLP 0.411765 0.784091
119 ME8 0.410853 0.802326
120 NB8 0.410853 0.853659
121 SON 0.410256 0.886076
122 DLL 0.409449 0.909091
123 AHX 0.409449 0.853659
124 COS 0.409396 0.771739
125 AMX 0.409396 0.797753
126 CAO 0.409396 0.763441
127 30N 0.409396 0.72449
128 7D5 0.409091 0.8125
129 4UW 0.408759 0.9125
130 APX 0.407692 0.841463
131 SRA 0.40708 0.85
132 CMX 0.406667 0.788889
133 SCO 0.406667 0.788889
134 TYM 0.405797 0.886076
135 COD 0.405594 0.777778
136 OXK 0.405229 0.771739
137 CA6 0.405229 0.70297
138 A12 0.405172 0.886076
139 AP2 0.405172 0.886076
140 9SN 0.40458 0.853659
141 LAQ 0.404412 0.802326
142 T5A 0.404255 0.914634
143 FAM 0.403974 0.771739
144 ACO 0.403974 0.763441
145 FCX 0.403974 0.763441
146 AMP MG 0.403509 0.825
147 VO4 ADP 0.403226 0.860759
148 ADP VO4 0.403226 0.860759
149 YLC 0.402878 0.823529
150 1VU 0.402597 0.763441
151 FA5 0.401515 0.886076
152 HAX 0.401316 0.771739
153 APU 0.4 0.923077
154 TXA 0.4 0.886076
155 A U 0.4 0.898734
156 4UU 0.4 0.948052
157 AFH 0.4 0.843373
158 CAJ 0.4 0.771739
159 AR6 AR6 0.4 0.871795
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1XKQ; Ligand: NDP; Similar sites found: 427
This union binding pocket(no: 1) in the query (biounit: 1xkq.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1LNX URI 0.02451 0.41987 None
2 1QB7 ADE 0.03493 0.4028 None
3 1Z82 NDP 0.001247 0.42627 1.07143
4 2PXX SAH 0.001195 0.45063 1.39535
5 1RPN NDP 0.0000006861 0.51329 1.42857
6 2EXX NAP 0.0001219 0.44544 1.42857
7 2IXB NAD 0.0004356 0.43504 1.42857
8 3B1J NAD 0.00161 0.41636 1.42857
9 2IXB A2G 0.0007476 0.40324 1.42857
10 1KYQ NAD 0.0009065 0.46438 1.45985
11 4MYD 164 0.01822 0.40664 1.5873
12 4YMH SAH 0.00561 0.41728 1.66667
13 4R1S NAP 0.0000002493 0.57769 1.78571
14 1ORR NAD 0.00000006567 0.56834 1.78571
15 4ZRN NAD 0.000000101 0.5546 1.78571
16 4ZRN UPG 0.0000004464 0.46298 1.78571
17 3LST SAH 0.002418 0.45288 1.78571
18 2TOH HBI 0.01891 0.42606 1.78571
19 2YX1 SFG 0.01157 0.41968 1.78571
20 3CMC NAD 0.006359 0.41247 1.78571
21 3WQQ IB3 0.003251 0.40645 1.78571
22 3T31 DCQ 0.008767 0.40159 1.78571
23 3T31 FAD 0.008057 0.40159 1.78571
24 2EJU SAH 0.01843 0.40015 1.78571
25 3DXY SAM 0.0133 0.42045 1.83486
26 3LCC SAH 0.00005647 0.40212 2.12766
27 1GV0 NAD 0.0003178 0.42462 2.14286
28 5UAV NDP 0.001172 0.41747 2.14286
29 5UAV TFB 0.001172 0.41747 2.14286
30 3VYW SAM 0.006012 0.41596 2.14286
31 1E1M FAD 0.004107 0.41227 2.14286
32 4PLG NAI 0.0007137 0.40679 2.14286
33 1OC2 TDX 0.00001737 0.40509 2.14286
34 1OC2 NAD 0.00001737 0.40509 2.14286
35 4TO8 FLC 0.02777 0.40336 2.14286
36 2VHW NAI 0.003138 0.40169 2.14286
37 3GU3 SAH 0.0001044 0.53181 2.46479
38 1Y1P NMN AMP PO4 0.000006138 0.46185 2.5
39 2P41 SAH 0.002481 0.44009 2.5
40 3V1Y NAD 0.001145 0.43075 2.5
41 2JHP SAH 0.007885 0.4205 2.5
42 1GUZ NAD 0.0004548 0.41689 2.5
43 2B4R NAD 0.001529 0.41456 2.5
44 1T26 NAI 0.002405 0.41238 2.5
45 2A92 NAI 0.002432 0.40454 2.5
46 5U5G NAP 0.001085 0.40387 2.5
47 1PL6 572 0.002079 0.40201 2.5
48 1W2D ADP 0.03758 0.40115 2.64151
49 3BGD SAH 0.005283 0.41234 2.69231
50 4PIV NDP 0.0000008967 0.51961 2.72727
51 3MB5 SAM 0.0003387 0.46287 2.7451
52 3MQ2 SAH 0.004853 0.43036 2.75229
53 2NXE SAM 0.01151 0.40956 2.75591
54 1J5P NAD 0.0008112 0.43364 2.7668
55 5EYW PGA 0.0387 0.40412 2.81124
56 1GY8 NAD 0.0000008899 0.53602 2.85714
57 1E7S NAP 0.000000943 0.52249 2.85714
58 2UYQ SAM 0.0004544 0.51921 2.85714
59 4PVD NDP 0.000001374 0.49513 2.85714
60 1G55 SAH 0.0004074 0.47157 2.85714
61 1SQF SAM 0.0008038 0.46248 2.85714
62 1XDS SAM 0.002577 0.45153 2.85714
63 4DPL NAP 0.0004707 0.43674 2.85714
64 5MDH NAD 0.001171 0.42735 2.85714
65 4UP4 GAL NAG 0.01507 0.42548 2.85714
66 3OA2 NAD 0.001477 0.42053 2.85714
67 4MDH NAD 0.002012 0.41807 2.85714
68 3TLJ SAH 0.004198 0.41658 2.85714
69 1PZG A3D 0.000394 0.41574 2.85714
70 3I6I NDP 0.0003963 0.41277 2.85714
71 3CIF NAD 0.001319 0.40188 3.06407
72 5N53 8NB 0.03752 0.40936 3.07692
73 1WVG APR 0.000000453 0.5728 3.21429
74 2C5A GDC 0.00000008823 0.4628 3.21429
75 2C5A NAD 0.00000008823 0.4628 3.21429
76 2ZWA SAH 0.0007926 0.45088 3.21429
77 1BW9 NAD 0.002849 0.42691 3.21429
78 1HYH NAD 0.001267 0.41763 3.21429
79 4RQU NAD 0.00221 0.41373 3.21429
80 3KB6 NAD 0.002625 0.41351 3.21429
81 4RPL 3UC 0.007252 0.4108 3.21429
82 1C1X NAD 0.004578 0.40657 3.21429
83 5KOK S9T 0.002079 0.4059 3.21429
84 5DOZ NDP 0.003323 0.40433 3.21429
85 2F1K NAP 0.0004341 0.44765 3.22581
86 4K28 NAD 0.0005985 0.44538 3.34572
87 4IF4 BEF 0.01924 0.42893 3.36538
88 1HDO NAP 0.0000006131 0.52679 3.39806
89 5IN4 NAP 0.00007107 0.52949 3.57143
90 5IN4 6CK 0.0000789 0.52709 3.57143
91 5IN4 GDP 0.00008793 0.52425 3.57143
92 5JAQ NAI 0.000006008 0.50639 3.57143
93 2BH9 NAP 0.0004253 0.48454 3.57143
94 1MUU NAD 0.00102 0.43591 3.57143
95 9LDB NAD 0.0004229 0.43553 3.57143
96 3GFB NAD 0.001045 0.4293 3.57143
97 4BHL ARG 0.0139 0.42753 3.57143
98 9LDT NAD 0.0004269 0.42375 3.57143
99 1P0F NAP 0.0008459 0.41609 3.57143
100 3GGO ENO 0.001994 0.41444 3.57143
101 3GGO NAI 0.001994 0.41444 3.57143
102 1MV8 NAD 0.000365 0.4137 3.57143
103 4R5M NAP 0.002425 0.41217 3.57143
104 3H9E NAD 0.003987 0.40898 3.57143
105 1MUU SUC 0.01982 0.40402 3.57143
106 1U1I NAD 0.001806 0.40353 3.57143
107 1SQ5 PAU 0.04863 0.40256 3.57143
108 4R5M 4NO 0.003292 0.40204 3.57143
109 5C3R AKG 0.02376 0.4011 3.57143
110 5C3R HMU 0.02376 0.4011 3.57143
111 3RGG AIR 0.03659 0.40175 3.77358
112 4NEC SAH 0.0008236 0.47087 3.78788
113 2V6G NAP 0.00000007584 0.55739 3.92857
114 1CER NAD 0.0006805 0.43982 3.92857
115 1LDM NAD 0.0004583 0.43718 3.92857
116 3SSO SAH 0.005867 0.41642 3.92857
117 3X01 AMP 0.03705 0.41113 3.92857
118 1O94 ADP 0.005068 0.41023 3.92857
119 1D8C GLV 0.0414 0.40516 3.92857
120 5JE0 AZ8 0.002239 0.4011 4.04858
121 5JE0 SAH 0.002239 0.4011 4.04858
122 3RFV NAI 0.000001733 0.53898 4.11985
123 3RFV 15L 0.00008618 0.47583 4.11985
124 1JG3 ADN 0.004799 0.42698 4.25532
125 1RKX NAD 0.00000002382 0.59505 4.28571
126 1LSS NAD 0.00007873 0.49873 4.28571
127 5F5N NAD 0.00000393 0.48111 4.28571
128 1SOW NAD 0.0002756 0.43364 4.28571
129 1LLU NAD 0.001264 0.4099 4.28571
130 2Y5S 78H 0.02799 0.40421 4.28571
131 1D4D FAD 0.004263 0.40394 4.28571
132 3EVG SAH 0.003355 0.4341 4.36364
133 4QTU SAM 0.001095 0.45232 4.44444
134 1I2B NAD 0.0000142 0.50914 4.45545
135 1I2B UPG 0.0154 0.44338 4.45545
136 1I2B USQ 0.0154 0.44338 4.45545
137 4Z28 BTN 0.01656 0.41953 4.47761
138 3UIE ANP 0.03708 0.40146 4.5
139 2IYL GDP 0.0154 0.42115 4.57746
140 1R6D NAD 0.000006033 0.52257 4.64286
141 1R6D DAU 0.000007014 0.51893 4.64286
142 5E8J SAH 0.00238 0.45321 4.64286
143 4OOE NDP 0.0004103 0.44864 4.64286
144 4RDH AMP 0.005901 0.43009 4.64286
145 4AZT SAM 0.004975 0.42627 4.64286
146 1X87 NAD 0.0002521 0.40949 4.64286
147 3VC1 SAH 0.008729 0.40308 4.64286
148 4OH4 ANP 0.01645 0.40242 4.64286
149 2DC1 NAD 0.000597 0.41063 4.66102
150 5FTW SAH 0.002652 0.4316 4.6875
151 3ORF NAD 0.00000004028 0.59759 4.78088
152 3CQL NAG 0.04086 0.409 4.93827
153 2X6T NAP 0.0000006527 0.54579 5
154 5MSO NAP 0.00000008021 0.53726 5
155 3ABI NAD 0.00005361 0.47274 5
156 4M38 SAH 0.00969 0.40681 5
157 1HKU NAD 0.003598 0.40059 5
158 4GKV NAD 0.0008486 0.41413 5.05952
159 1PZM 5GP 0.02268 0.41641 5.21327
160 3LU1 NAD 0.00000002843 0.59772 5.21978
161 1QAN SAH 0.002252 0.43131 5.32787
162 4U7W NDP 0.0000000259 0.55726 5.35714
163 1ZQ9 SAM 0.0008297 0.46185 5.35714
164 1UDB NAD 0.00000582 0.42879 5.35714
165 5JE8 NAD 0.001593 0.42801 5.35714
166 2Q28 ADP 0.008499 0.4124 5.35714
167 2IF8 ADP 0.04368 0.40511 5.35714
168 2FK8 SAM 0.01213 0.40251 5.35714
169 3I53 SAH 0.01341 0.40058 5.35714
170 1G60 SAM 0.003468 0.42988 5.38462
171 2PZM NAD 0.00001388 0.49813 5.45455
172 2PZM UDP 0.00001388 0.49813 5.45455
173 3A27 SAM 0.004983 0.42624 5.51471
174 1BXK NAD 0.0000006354 0.51655 5.71429
175 1E5Q NDP 0.0005985 0.43575 5.71429
176 3LKZ SFG 0.01014 0.40894 5.71429
177 1KOL NAD 0.002252 0.40701 5.71429
178 4W6Z 8ID 0.003483 0.40002 5.71429
179 1M0S CIT 0.02738 0.41209 5.93607
180 4GLL NAD 0.0000003188 0.53989 6.07143
181 2Q1S NAI 0.000007005 0.50937 6.07143
182 5L4L NAP 0.00000966 0.46228 6.07143
183 5L4L 7OX 0.000202 0.44693 6.07143
184 4DMG SAM 0.007045 0.43426 6.07143
185 4ONQ SFG 0.004633 0.42768 6.07143
186 5KKA 6V0 0.000525 0.42378 6.07143
187 4YCA NDP 0.001977 0.42122 6.07143
188 2QZZ EMF 0.001431 0.4166 6.07143
189 2QZZ NAP 0.001333 0.4166 6.07143
190 5HJM MTA 0.006861 0.41658 6.07143
191 4AT0 FAD 0.00484 0.40542 6.07143
192 2WH8 II2 0.04004 0.40333 6.07143
193 1IM8 SAI 0.0108 0.40473 6.14754
194 1R18 SAH 0.003971 0.42068 6.1674
195 2PV7 NAD 0.003176 0.41024 6.42857
196 1ZMD NAI 0.005742 0.40524 6.42857
197 2CVQ NDP 0.004835 0.40053 6.42857
198 3QX9 ATP 0.04897 0.40268 6.52174
199 1XFF GLU 0.01785 0.41405 6.66667
200 3WLE NAD 0.00156 0.4129 6.74487
201 4TQG NDP 0.000000002604 0.59945 6.78571
202 3KO8 NAD 0.0000000838 0.56944 6.78571
203 1LDN NAD 0.0007813 0.41443 6.78571
204 2NU8 COA 0.003412 0.4117 6.78571
205 3G89 SAM 0.001173 0.46818 6.82731
206 2HMT NAI 0.0001059 0.41747 6.94444
207 1HSR BHO 0.03942 0.41865 6.97674
208 4OBW SAM 0.01059 0.41122 7.00389
209 4YSX FAD 0.004516 0.40108 7.05128
210 2YY7 NAD 0.000000232 0.54083 7.14286
211 2GZ3 NAP 0.0005141 0.44377 7.14286
212 2EG5 SAH 0.004969 0.43763 7.14286
213 1I0Z NAI 0.0007352 0.42935 7.14286
214 5X62 SAH 0.008127 0.41989 7.14286
215 1UXG NAD 0.0002078 0.44774 7.44337
216 2JJQ SAH 0.01012 0.42255 7.5
217 1F3L SAH 0.004234 0.41947 7.5
218 1EZ4 NAD 0.0005945 0.40764 7.5
219 2Q46 NAP 0.0000004352 0.55749 7.50988
220 1D4O NAP 0.004275 0.40776 7.6087
221 4A6D SAM 0.002946 0.43306 7.64873
222 1QZZ SAM 0.004457 0.43993 7.85714
223 4M73 SAH 0.001869 0.40999 7.85714
224 2VHL GLP 0.03939 0.40009 7.85714
225 2DT5 NAD 0.002154 0.41417 8.05687
226 2VDV SAM 0.00315 0.44728 8.13008
227 3WMX NAD 0.0000007936 0.55751 8.21429
228 1UWK NAD 0.00005322 0.47836 8.21429
229 3VPH NAD 0.0007421 0.42092 8.21429
230 1UWK URO 0.00005322 0.41566 8.21429
231 3A25 SAM 0.01029 0.4118 8.21429
232 3VPH OXM 0.001134 0.40729 8.21429
233 2JHF NAD 0.04254 0.40026 8.21429
234 3A3B FMN 0.03749 0.40485 8.42105
235 3A3B RBF 0.04361 0.40135 8.42105
236 4CS9 AMP 0.04944 0.41024 8.46561
237 5T9F TYR 0.002699 0.40524 8.48709
238 3WXL ADP 0.02544 0.42351 8.57143
239 3MJE NDP 0.000000001421 0.61364 8.92857
240 1EK6 NAI 0.000002988 0.53445 8.92857
241 1EK6 UPG 0.000009815 0.51644 8.92857
242 1V6A TRE 0.0009271 0.49687 8.92857
243 1NVM NAD 0.001331 0.41682 8.92857
244 3OJO NAD 0.009253 0.402 8.92857
245 2XYQ SAH 0.01089 0.41067 9.01639
246 1O6Z NAD 0.0008709 0.44205 9.28571
247 4RSL FAD 0.0008211 0.42317 9.28571
248 2GAG FAD 0.004495 0.4049 9.28571
249 1M2W NAD 0.01026 0.40286 9.28571
250 2Z49 AMG 0.03815 0.4011 9.28571
251 4HXY NDP 0.000000001871 0.6151 9.58904
252 1LTH NAD 0.0004603 0.45356 9.64286
253 5GM1 SAH 0.001497 0.43555 9.64286
254 2JL1 NAP 0.00009607 0.41887 9.64286
255 3P2E SAH 0.004599 0.42108 9.77778
256 1HDR NAD 0.00009098 0.40184 9.83607
257 1A5Z NAD 0.0002884 0.46981 10.0313
258 1VBO MAN MAN MAN 0.04868 0.40172 10.0671
259 1SB8 UD2 0.0000007685 0.55621 10.3571
260 4O1M NAD 0.00000006175 0.55566 10.3571
261 1SB8 NAD 0.0000007561 0.55144 10.3571
262 1VL0 NAI 0.0000001212 0.52413 10.3571
263 1Y8Q ATP 0.00394 0.41479 10.3571
264 3G2O SAM 0.0009806 0.45853 10.7143
265 4RF7 ARG 0.01473 0.42903 10.7143
266 5XVQ SAH 0.009224 0.40206 10.9155
267 1E6E FAD 0.002348 0.40634 10.9375
268 1H2B NAJ 0.001667 0.40813 11.0714
269 2FZW NAD 0.005161 0.40079 11.0714
270 2O66 FLC 0.03218 0.4127 11.1111
271 1FRW GTP 0.02364 0.4012 11.3402
272 1N7G NDP 0.000008838 0.52943 11.4286
273 1N7G GDR 0.000007151 0.52182 11.4286
274 1KEW TYD 0.00001149 0.50841 11.4286
275 1KEW NAD 0.00001883 0.50122 11.4286
276 1WP4 NDP 0.0007735 0.43446 11.4286
277 2CVZ NDP 0.004005 0.4089 11.4286
278 3OFK SAH 0.01343 0.40966 11.5741
279 1NYT NAP 0.006751 0.40236 11.8081
280 2BKA NDP 0.0000002282 0.53035 11.9835
281 4X9M FAD 0.002646 0.40879 12.1429
282 3QV1 NAD 0.004506 0.40684 12.1951
283 5IL1 SAM 0.005082 0.42585 12.2642
284 2IZ1 ATR 0.011 0.43035 12.5
285 2HYV UAP SGN IDS SGN IDS 0.04734 0.40425 12.5
286 2I3G NAP 0.0003181 0.44017 12.7841
287 1SAY PYR 0.0008618 0.41988 12.8571
288 3BAZ NAP 0.002712 0.41857 12.8571
289 3GXO SAH 0.006101 0.42939 13.0081
290 2FR1 NDP 0.00000004601 0.57906 13.5714
291 1H9A NAP 0.0004273 0.43101 13.5714
292 3L9W AMP 0.0006004 0.41839 13.5714
293 4EKV BTN 0.0307 0.40218 13.8365
294 2HJR APR 0.00006978 0.49191 13.9286
295 1F8F NAD 0.002181 0.42244 13.9286
296 2DFV NAD 0.0004617 0.41296 13.9286
297 1TED MYR 0.01672 0.4021 13.9286
298 3GDH SAH 0.006258 0.40641 14.1079
299 3A4T SFG 0.002239 0.43142 14.2336
300 1D1T NAD 0.001805 0.40933 14.2857
301 2PK3 A2R 0.000002243 0.4608 15
302 5HSA FAS 0.002082 0.41373 15
303 1D7O NAD 0.0000007502 0.50663 15.3571
304 4EUE NAI 0.0000001751 0.54879 15.7143
305 3EGI ADP 0.02519 0.41814 16.0194
306 5L53 NAP 0.000000001206 0.56476 16.4286
307 2C29 NAP 0.000002572 0.46063 16.7857
308 2C29 DQH 0.000008977 0.4436 16.7857
309 1P77 ATR 0.001273 0.4878 16.9118
310 3A4V NAD 0.0000007326 0.51365 17.5
311 3A4V PYR 0.0000007326 0.51365 17.5
312 3B1F NAD 0.0002597 0.47177 17.5
313 1HDG NAD 0.001722 0.42663 17.5
314 1EQ2 NAP 0.0000009329 0.53987 17.8571
315 3FUU ADN 0.001701 0.44375 19.1882
316 1V35 NAI 0.0000002638 0.50236 19.2857
317 1VE3 SAM 0.01283 0.4074 20.2643
318 1N5D NDP 0.000000000566 0.65602 23.2143
319 2PD4 DCN 0.0000002929 0.54845 24.7273
320 2PD4 NAD 0.0000003189 0.54709 24.7273
321 5L4S 6KX 0.0000000007245 0.64845 25.7143
322 5L4S NAP 0.0000000007245 0.64845 25.7143
323 1Z45 NAD 0.0000005879 0.54753 25.7143
324 1WMA NDP 0.000000002084 0.64285 27.1739
325 1WMA AB3 0.000000002084 0.64285 27.1739
326 2Q1W NAD 0.0000007206 0.53491 27.5
327 4II2 ATP 0.002489 0.43282 27.7108
328 5GT9 NAP 0.00000000001917 0.68415 28.5171
329 4YAG NAI 0.00000000003502 0.70801 29.2857
330 4Q9N NAI 0.00000002095 0.57734 31.0714
331 3WXB NDP 0.00000000003013 0.70384 31.5412
332 1XSE NDP 0.00000000003752 0.7027 32.8571
333 4OHU 2TK 0.0000004855 0.44265 32.8571
334 4OHU NAD 0.0000004855 0.44265 32.8571
335 4D42 W0I 0.0000002559 0.57217 33.5714
336 4D42 NAP 0.0000002559 0.57217 33.5714
337 1GZ6 NAI 0.00000001767 0.59992 33.9286
338 4J7U YTZ 0.000000000374 0.66921 34.0278
339 4J7U NAP 0.000000000374 0.66921 34.0278
340 3CH6 NAP 0.0000000002414 0.70405 34.6429
341 3CH6 311 0.0000000002414 0.70405 34.6429
342 1Z6Z NAP 0.0000000001025 0.65181 34.7518
343 3RJ5 NAD 0.00000001402 0.55763 35.0394
344 4K26 NDP 0.00000000006716 0.69077 35.8696
345 4K26 SFF 0.0000000002088 0.60501 35.8696
346 3RKR NAP 0.000001849 0.62106 35.8779
347 1OAA OAA 0.0000000002673 0.57643 36.2934
348 1SNY NAP 0.000000001173 0.59558 36.7041
349 1A27 NAP 0.0000000001231 0.64868 36.7857
350 3HB5 NAP 0.000000002918 0.51963 36.7857
351 2BD0 NAP 0.0000000000002066 0.77663 36.8852
352 4J1Q NDP 0.00000001419 0.57144 37.1429
353 2JAH NDP 0.0000000000002137 0.78452 38.0567
354 3TN7 NJP 0.0000000000003455 0.74547 38.9105
355 3H4V DVP 0.000000009976 0.61542 39.6429
356 3H4V NAP 0.00000002715 0.59734 39.6429
357 2JAP NDP 0.0000000000002929 0.77938 40.4858
358 4ITU NAI 0.000000000006834 0.71318 40.8922
359 4ITU 1HS 0.00000000002554 0.61577 40.8922
360 3O26 NDP 0.00000000002719 0.67119 41.0714
361 1W8D NAP 0.0000000004591 0.70296 41.7219
362 1W73 NAP 0.0000000007856 0.69326 41.7219
363 3V1U NAD 0.00000000001331 0.65154 41.7857
364 1ZBQ NAD 0.000000003578 0.62004 41.7857
365 5CG1 NAD BBN 0.0000008352 0.56377 41.7857
366 1XG5 NAP 0.0000000000001023 0.79654 41.9355
367 3SJU NDP 0.000000000003112 0.74085 41.9355
368 3ZV6 NAD 0.00000000002421 0.62223 43.2143
369 3ZV6 4HB 0.00000000002751 0.61318 43.2143
370 3U4C NDP 0.0000000007238 0.61592 43.9286
371 4FC7 NAP 0.00000001166 0.61287 44.4043
372 4FC7 COA 0.00000001166 0.61287 44.4043
373 1MXH DHF 0.0000001202 0.56805 44.5652
374 1MXH NAP 0.0000001785 0.56167 44.5652
375 5THQ NDP 0.00000000001519 0.68043 44.8529
376 1FK8 NAD 0.000000000009331 0.76412 45.1362
377 1QG6 TCL 0.0000002889 0.56178 45.2107
378 1QG6 NAD 0.0000002889 0.56178 45.2107
379 1G0N PHH 0.00000000008797 0.69091 45.3571
380 1G0N NDP 0.00000000006778 0.68877 45.3571
381 4O0L NDP 0.00000000003973 0.69933 45.4545
382 2DKN NAI 0.0000000000009676 0.77677 45.4902
383 3OJF IMJ 0.0000001915 0.56545 45.5253
384 3OJF NDP 0.0000001261 0.56188 45.5253
385 1BDB NAD 0.00000000002365 0.69357 45.8484
386 1W6U NAP 0.0000000002903 0.60351 46.0714
387 1YXM ADE 0.0001781 0.50722 46.0714
388 3AFN NAP 0.0000000000004898 0.75481 46.5116
389 1ZEM NAD 0.0000000005465 0.6071 46.5649
390 3OIG NAD 0.0000001065 0.58677 46.6165
391 2Q2V NAD 0.0000000000007813 0.74743 47.0588
392 1E3W NAD 0.000000000005092 0.74068 47.1264
393 4CQM NAP 0.00000000001461 0.72321 47.1311
394 2AE2 NAP 0.0000000000006616 0.76837 47.3077
395 2AE2 PTO 0.0000000000006616 0.76837 47.3077
396 2WYV NAD 0.000004096 0.51536 47.5096
397 5JCJ NAP 0.000000001876 0.64925 47.8571
398 3JQA NAP 0.000000003116 0.64726 47.8571
399 3BMN NAP 0.000000001599 0.64541 47.8571
400 4CM4 NAP 0.000000002391 0.64516 47.8571
401 4CM8 NAP 0.000000002518 0.64429 47.8571
402 3JQ8 NAP 0.000000002074 0.6411 47.8571
403 3BMO NAP 0.000000003079 0.6409 47.8571
404 3JQG NAP 0.000000005748 0.63677 47.8571
405 3JQF NAP 0.000000002797 0.63614 47.8571
406 3JQB NAP 0.000000005988 0.63607 47.8571
407 3BMQ NAP 0.000000002844 0.63587 47.8571
408 3JQ7 NAP 0.000000006651 0.63427 47.8571
409 4CMI NAP 0.000000004854 0.63323 47.8571
410 5K6A NAP 0.000000001158 0.61536 47.8571
411 4CM9 NAP 0.000000001399 0.61259 47.8571
412 5JDC NAP 0.00000000197 0.60133 47.8571
413 4CME NAP 0.000000002345 0.59945 47.8571
414 5JDI NAP 0.000000002375 0.59836 47.8571
415 4CLO NAP 0.000000001791 0.59651 47.8571
416 4CLR NAP 0.00000000354 0.59304 47.8571
417 3JQ9 NAP 0.000000005402 0.59292 47.8571
418 5JCJ 6JM 0.008446 0.44374 47.8571
419 2VZ0 NAP 0.0000001443 0.60715 48.1343
420 2VZ0 D64 0.0000001443 0.60715 48.1343
421 2WD7 NAP 0.000000003629 0.59264 48.1343
422 2WSB NAD 0.00000000004508 0.69972 48.4252
423 2EWM NAD 0.0000000000005909 0.76794 48.996
424 1NFQ NAI 0.000000000005342 0.71038 49.2308
425 4OSP NAP 0.000000000001264 0.70757 49.4297
426 3AI3 SOL 0.002859 0.46898 49.4297
427 5T2U NAP 0.000000000001832 0.73397 49.5968
428 3OID NDP 0.0000000001122 0.66898 50
Pocket No.: 2; Query (leader) PDB : 1XKQ; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1xkq.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1XKQ; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1xkq.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1XKQ; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1xkq.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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