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 3 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: 23
This union binding pocket(no: 1) in the query (biounit: 4lzb.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3GGU 017 0.03554 0.40553 None
2 4BQS K2Q 0.014 0.43331 1.13636
3 4GLW NMN 0.005501 0.4092 1.68067
4 2FXD DR7 0.03307 0.40885 2.0202
5 2V5K OXM 0.03984 0.41062 2.10084
6 1PKX XMP 0.01458 0.40841 2.94118
7 3CEV ARG 0.01175 0.40381 2.94118
8 5G3U ITW 0.033 0.40721 3.36134
9 5G3U FDA 0.02845 0.40685 3.36134
10 3LAD FAD 0.02396 0.41541 4.20168
11 5H9I XAN 0.0000000005795 0.68875 5.04202
12 5L0U 660 0.01928 0.41063 5.88235
13 5EPO NAP 0.0327 0.41394 7.14286
14 1TRD PGH 0.01331 0.41345 7.14286
15 5LWY OLA 0.01604 0.40128 7.14286
16 1UI0 URA 0.000001495 0.57667 9.26829
17 3TN7 NJP 0.02193 0.42426 10.084
18 2J3M PRI 0.02896 0.40342 13.4454
19 3BJK CIT 0.005965 0.45238 13.7255
20 2EUG URA 0.00001104 0.52894 28.3843
21 1UDH URA 0.0000008164 0.5355 30.2521
22 3FCI 3FI 0.000001697 0.5866 30.9417
23 4WS6 WBU 0.000000001846 0.74956 35.2941
Pocket No.: 2; Query (leader) PDB : 4LZB; Ligand: URA; 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: 4lzb.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4LZB; Ligand: URA; Similar sites found: 14
This union binding pocket(no: 3) in the query (biounit: 4lzb.bio3) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1S7G APR 0.04134 0.40335 0.840336
2 5I34 GDP 0.01556 0.40966 3.36134
3 1KPH SAH 0.02538 0.40262 3.36134
4 2E5V FAD 0.04364 0.40148 3.36134
5 3RK0 AMP 0.02423 0.40179 5.06329
6 5HSA FAS 0.0243 0.40492 6.30252
7 4ZX2 4TE 0.005258 0.42324 7.56302
8 5WDR GNP 0.02463 0.40158 7.60234
9 4K81 GTP 0.02503 0.40086 8.18713
10 2UZI GTP 0.02019 0.40714 8.65385
11 2ZKJ ADP 0.04419 0.41659 10.084
12 5LJ0 6XX 0.02288 0.40782 10.7692
13 2GOU FMN 0.03742 0.40559 11.7647
14 1ZC3 GNP 0.02454 0.40454 18.8571
Pocket No.: 4; Query (leader) PDB : 4LZB; Ligand: URA; 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: 4lzb.bio3) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4LZB; Ligand: URA; Similar sites found: 12
This union binding pocket(no: 5) in the query (biounit: 4lzb.bio5) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3B20 NAD 0.04659 0.40106 1.68067
2 5USZ SKE 0.04801 0.40389 2.52101
3 1B8U OAA 0.04004 0.40129 2.52101
4 1REO FAD 0.03919 0.40227 2.94118
5 4YHO 4CC 0.01494 0.4097 4.5045
6 1YQC GLV 0.002817 0.4116 5.88235
7 3HGM ATP 0.02462 0.40103 6.80272
8 1R37 NAD 0.03924 0.41523 8.40336
9 4C3Y FAD 0.04762 0.40386 8.82353
10 5C03 AGS 0.03299 0.40069 9.66387
11 5DN9 NAD 0.03822 0.4089 11.3445
12 1UAD GNP 0.02496 0.40465 18.8571
Pocket No.: 6; Query (leader) PDB : 4LZB; Ligand: URA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4lzb.bio5) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4LZB; Ligand: URA; Similar sites found: 8
This union binding pocket(no: 7) in the query (biounit: 4lzb.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5G4R LF1 0.01536 0.40847 None
2 3OID NDP 0.04245 0.40261 1.68067
3 3ZIU LSS 0.04669 0.40198 3.36134
4 1O94 AMP 0.0299 0.40483 4.20168
5 1Y60 H4M 0.03012 0.40356 5.32544
6 5DM1 SAH 0.01809 0.43916 6.36704
7 4REP FAD 0.007221 0.43927 7.56302
8 1XHL NDP 0.02603 0.41877 8.82353
Pocket No.: 8; Query (leader) PDB : 4LZB; Ligand: URA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 4lzb.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 4LZB; Ligand: URA; Similar sites found: 12
This union binding pocket(no: 9) in the query (biounit: 4lzb.bio4) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2Q2V NAD 0.0314 0.41158 1.2605
2 1SAY PYR 0.03576 0.40473 2.10084
3 1GPE FAD 0.01189 0.43842 2.52101
4 2VVM FAD 0.04424 0.4064 2.94118
5 1QO8 FAD 0.01003 0.44263 5.04202
6 4BTI 7R9 0.0284 0.40553 5.04202
7 1FIW PBZ 0.02014 0.40371 5.04202
8 5L4S 6KX 0.04481 0.4059 7.56302
9 5L4S NAP 0.04481 0.4059 7.56302
10 2C0U FAD NBT 0.0492 0.40451 7.98319
11 1Q0S SAH 0.02581 0.40029 9.66387
12 5G5G MCN 0.04294 0.40292 11.7904
Pocket No.: 10; Query (leader) PDB : 4LZB; Ligand: URA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 4lzb.bio4) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 4LZB; Ligand: URA; Similar sites found: 1
This union binding pocket(no: 11) in the query (biounit: 4lzb.bio6) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2W9S NDP 0.04916 0.4048 6.21118
Pocket No.: 12; Query (leader) PDB : 4LZB; Ligand: URA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 4lzb.bio6) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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