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Receptor
PDB id Resolution Class Description Source Keywords
4LZB 2.03 Å EC: 3.2.2.27 URACIL BINDING POCKET IN VACCINIA VIRUS URACIL DNA GLYCOSYLA VACCINIA VIRUS ALPHA/BETA DNA GLYCOSYLASE FOLD VIRAL PROCESSIVITY FACTOR BINDING COMPONENT DNA REPAIR A20 HYDROLASE
Ref.: STRUCTURE OF THE URACIL COMPLEX OF VACCINIA VIRUS U GLYCOSYLASE. ACTA CRYSTALLOGR.,SECT.F V. 69 1328 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DMS B:303;
J:302;
H:302;
F:301;
E:301;
G:302;
B:302;
A:301;
H:303;
B:301;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
78.133 C2 H6 O S CS(=O...
CL G:301;
F:303;
B:307;
H:301;
G:305;
A:303;
K:301;
D:302;
C:302;
A:304;
B:306;
E:305;
E:304;
B:308;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
EDO A:307;
B:311;
B:309;
I:302;
E:306;
B:310;
I:301;
G:307;
D:303;
K:302;
G:304;
A:306;
L:301;
F:304;
D:304;
A:305;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
URA I:303;
E:307;
J:301;
D:305;
L:302;
A:308;
F:305;
B:312;
G:306;
H:304;
C:303;
K:303;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
112.087 C4 H4 N2 O2 C1=CN...
K D:301;
F:302;
C:301;
E:303;
B:304;
J:303;
G:303;
A:302;
E:302;
B:305;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
39.098 K [K+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4LZB 2.03 Å EC: 3.2.2.27 URACIL BINDING POCKET IN VACCINIA VIRUS URACIL DNA GLYCOSYLA VACCINIA VIRUS ALPHA/BETA DNA GLYCOSYLASE FOLD VIRAL PROCESSIVITY FACTOR BINDING COMPONENT DNA REPAIR A20 HYDROLASE
Ref.: STRUCTURE OF THE URACIL COMPLEX OF VACCINIA VIRUS U GLYCOSYLASE. ACTA CRYSTALLOGR.,SECT.F V. 69 1328 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4LZB - URA C4 H4 N2 O2 C1=CNC(=O)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4LZB - URA C4 H4 N2 O2 C1=CNC(=O)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4LZB - URA C4 H4 N2 O2 C1=CNC(=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: URA; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 URA 1 1
2 TUL 0.5 0.725
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4LZB; Ligand: URA; Similar sites found with APoc: 65
This union binding pocket(no: 1) in the query (biounit: 4lzb.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3GGU 017 None
2 4BQS K2Q 1.13636
3 4BQS ADP 1.13636
4 1XG5 NAP 1.2605
5 6APL C5P 1.2605
6 6C7R EO4 1.6
7 4GLW NMN 1.68067
8 2FXD DR7 2.0202
9 1SQF SAM 2.10084
10 1N5D NDP 2.10084
11 4MOB COA 2.52101
12 1QL9 ZEN 2.69058
13 3H9E NAD 2.94118
14 5DOZ NDP 2.94118
15 2VVL FAD 2.94118
16 3CEV ARG 2.94118
17 5UY8 AMZ 2.94118
18 3TWO NDP 3.36134
19 3MKH FAD 3.36134
20 5G3U ITW 3.36134
21 4E5N NAD 3.36134
22 5G3U FDA 3.36134
23 5WGR FAD 3.36134
24 2X61 CH 3.48837
25 4R4U COA 3.78151
26 1SW0 PGA 3.78151
27 5O98 NAP 3.78151
28 2V1O COA 3.97351
29 3LAD FAD 4.20168
30 1O94 AMP 4.20168
31 2JKY 5GP 4.22535
32 2ZAT NAP 4.62185
33 2ZOF BES 4.62185
34 5H9I XAN 5.04202
35 3AB1 FAD 5.04202
36 1NU4 MLA 5.15464
37 1Y60 H4M 5.32544
38 5L0U 660 5.88235
39 3MBI HSX 5.88235
40 2J4K U5P 6.30252
41 1P0F NAP 6.30252
42 3OA2 NAD 6.30252
43 5EPO NAP 7.14286
44 1TRD PGH 7.14286
45 5LWY OLA 7.14286
46 5ZBC FAD 7.98319
47 5ODQ FAD 7.98319
48 1R37 NAD 8.40336
49 1UI0 URA 9.26829
50 5XKT GNP 9.5
51 4A1O JLN 9.66387
52 3TN7 NJP 10.084
53 1T10 F6P 10.084
54 2ZKJ ADP 10.084
55 6C8T EQJ 10.5042
56 4ZFL 4NK 11.1111
57 4LI4 AMP 11.7647
58 6HOY TSN 11.7647
59 2J3M ATP 13.4454
60 2J3M PRI 13.4454
61 3BJK CIT 13.7255
62 2EUG URA 28.3843
63 1UDH URA 30.2521
64 3FCI 3FI 30.9417
65 4WS6 WBU 35.2941
Pocket No.: 2; Query (leader) PDB : 4LZB; Ligand: URA; Similar sites found with APoc: 46
This union binding pocket(no: 2) in the query (biounit: 4lzb.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 2Q2V NAD 1.2605
2 1XKQ NDP 1.2605
3 3OID NDP 1.68067
4 1CER NAD 1.68067
5 1RM4 NDP 1.68067
6 1GPE FAD 2.52101
7 5OJI NAP 2.52101
8 5OJI ISN 2.52101
9 1HDG NAD 2.52101
10 3QVP FAD 2.94118
11 3KO8 NAD 2.94118
12 2VVM FAD 2.94118
13 3AFN NAP 3.36134
14 2E5V FAD 3.36134
15 2BD0 NAP 3.36134
16 1LLU NAD 3.78151
17 2DTX BMA 3.78151
18 3CTY FAD 3.78151
19 1YY5 FAD 4.20168
20 6GAS FAD 4.20168
21 4RSL FAD 4.20168
22 3ZLR X0B 4.43038
23 1KJ8 ATP 4.62185
24 1KJ8 GAR 4.62185
25 2I4I AMP 5.04202
26 4BTI 7R9 5.04202
27 1FIW PBZ 5.04202
28 4Z0H NAD 5.46218
29 5UR0 NAD 5.88235
30 1RP0 AHZ 6.30252
31 2YVJ NAI 7.14286
32 4REP FAD 7.56302
33 5L4S NAP 7.56302
34 5L4S 6KX 7.56302
35 5J60 FAD 7.98319
36 2DM6 IMN 9.2437
37 2DM6 NAP 9.2437
38 1GY8 NAD 11.3445
39 3LZW FAD 11.3445
40 5G5G MCN 11.7904
41 3T3C 017 12.1212
42 1NNU TCT 13.3333
43 1NNU NAD 13.3333
44 3QV1 NAD 13.4146
45 2WPF WPF 13.4454
46 1BZY IMU 14.7465
Pocket No.: 3; Query (leader) PDB : 4LZB; Ligand: URA; Similar sites found with APoc: 30
This union binding pocket(no: 3) in the query (biounit: 4lzb.bio3) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 1S7G APR 0.840336
2 1F8G NAD 1.68067
3 2IYL GDP 2.10084
4 1RJ9 GCP 2.52101
5 1UU1 PMP HSA 2.94118
6 6F97 FAD 3.36134
7 5I34 GDP 3.36134
8 1KPH SAH 3.36134
9 3EI9 PL6 4.20168
10 1KYQ NAD 4.62185
11 3QJ4 FAD 4.62185
12 5AHS FAD 4.62185
13 3RK0 AMP 5.06329
14 1L1E SAH 5.22648
15 5XC5 GTP 6.25
16 5HSA FAS 6.30252
17 1KPG SAH 6.72269
18 2GMH FAD 7.14286
19 4ZX2 4TE 7.56302
20 4RJK TPP 7.56302
21 5WDR GNP 7.60234
22 1H2B NAJ 7.98319
23 4K81 GTP 8.18713
24 5O2T GSP 8.28402
25 2C5L GTP 8.54701
26 2UZI GTP 8.65385
27 5LJ0 6XX 10.7692
28 2GOU FMN 11.7647
29 6HOY AR6 11.7647
30 1ZC3 GNP 18.8571
Pocket No.: 4; Query (leader) PDB : 4LZB; Ligand: URA; Similar sites found with APoc: 12
This union binding pocket(no: 4) in the query (biounit: 4lzb.bio3) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 5J6A P46 4.20168
2 4YHO 4CC 4.5045
3 1YQC GLV 5.88235
4 1RHC F42 ACN 6.72269
5 3TKA SAM 7.14286
6 3N1S 5GP 7.56302
7 4GKV NAD 7.98319
8 3RWO GDP 8.10811
9 4BI7 PGA 8.40336
10 6C9B EGV 10.5042
11 1FFU CDP 12.2699
12 1P9B GDP 14.7059
Pocket No.: 5; Query (leader) PDB : 4LZB; Ligand: URA; Similar sites found with APoc: 17
This union binding pocket(no: 5) in the query (biounit: 4lzb.bio5) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3B20 NAD 1.68067
2 5USZ SKE 2.52101
3 1B8U OAA 2.52101
4 1REO FAD 2.94118
5 4LGY ADP 4.20168
6 6G28 AR6 4.20168
7 3AYI HCI 4.20168
8 3AYI FAD 4.20168
9 3GYQ SAM 6.30252
10 3HGM ATP 6.80272
11 4BS0 6NT 7.56302
12 4C3Y FAD 8.82353
13 5C03 AGS 9.66387
14 1DSS NAD 11.3445
15 5DN9 NAD 11.3445
16 5TS5 FAD 16.3866
17 1UAD GNP 18.8571
Pocket No.: 6; Query (leader) PDB : 4LZB; Ligand: URA; Similar sites found with APoc: 14
This union binding pocket(no: 6) in the query (biounit: 4lzb.bio5) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 1I3U RR1 None
2 1S7G NAD 0.840336
3 4BUZ OCZ 1.2605
4 4BUZ NAD 1.2605
5 4BUZ OAD 1.2605
6 2D2I NAP 1.68067
7 3B1J NAD 1.68067
8 2RH1 CAU 2.52101
9 3NW7 LGV 3.36134
10 1RTF BEN 5.04202
11 2W9S NDP 6.21118
12 3O7B SAH 7.98319
13 6B4K ANP 7.98319
14 1XHL NDP 8.82353
Pocket No.: 7; Query (leader) PDB : 4LZB; Ligand: URA; Similar sites found with APoc: 7
This union binding pocket(no: 7) in the query (biounit: 4lzb.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 4UYE 9F9 None
2 3ZIU LSS 3.36134
3 2JAH NDP 5.46218
4 6FDF SAH 5.46218
5 5DM1 SAH 6.36704
6 5Y6Q MCN 6.79012
7 5Z20 NAI 10.084
Pocket No.: 8; Query (leader) PDB : 4LZB; Ligand: URA; Similar sites found with APoc: 2
This union binding pocket(no: 8) in the query (biounit: 4lzb.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 5KVA SAM 5.88235
2 6C92 EGV 10.5042
Pocket No.: 9; Query (leader) PDB : 4LZB; Ligand: URA; Similar sites found with APoc: 10
This union binding pocket(no: 9) in the query (biounit: 4lzb.bio4) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 1COY AND 1.2605
2 6H3O FAD 2.10084
3 2VDV SAM 2.10084
4 3MWS 017 3.0303
5 1LO8 4CA 4.25532
6 1QO8 FAD 5.04202
7 1JNR FAD 7.56302
8 2C0U FAD NBT 7.98319
9 1Q0S SAH 9.66387
10 2QFY AKG 10.5042
Pocket No.: 10; Query (leader) PDB : 4LZB; Ligand: URA; Similar sites found with APoc: 8
This union binding pocket(no: 10) in the query (biounit: 4lzb.bio4) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 4WJT NAG 2.39521
2 1E5Q NDP 2.52101
3 5N6C NAD 2.94118
4 2YK7 CSF 4.62185
5 5K0A FAD 5.88235
6 5ZYN FAD 6.36943
7 4YNU LGC 7.14286
8 6C92 EQJ 10.5042
Pocket No.: 11; Query (leader) PDB : 4LZB; Ligand: URA; Similar sites found with APoc: 7
This union binding pocket(no: 11) in the query (biounit: 4lzb.bio6) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 2B4R NAD 3.78151
2 2B4R AES 3.78151
3 1EDO NAP 5.88235
4 1QDS PGA 6.72269
5 6BVK GNP 8.38323
6 5U19 SAH 8.82353
7 5U19 827 8.82353
Pocket No.: 12; Query (leader) PDB : 4LZB; Ligand: URA; Similar sites found with APoc: 9
This union binding pocket(no: 12) in the query (biounit: 4lzb.bio6) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 4LHW GNP 2.87356
2 2V0C LEU LMS 2.94118
3 2X61 NGA GAL SIA 3.48837
4 1RPN NDP 3.58209
5 1RO7 CSF 3.78151
6 3RIY NAD 3.78151
7 5LHT TIH 5.04202
8 2P2V CSF 14.2857
9 4N82 FMN 24.7191
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