Receptor
PDB id Resolution Class Description Source Keywords
4ZAH 2.24 Å EC: 2.6.1.59 CRYSTAL STRUCTURE OF SUGAR AMINOTRANSFERASE WECE WITH EXTERN ALDIMINE VII FROM ESCHERICHIA COLI K-12 ESCHERICHIA COLI (STRAIN K12) SUGAR AMINOTRANSFERASE STRUCTURAL GENOMICS PSI-BIOLOGY PRSTRUCTURE INITIATIVE ENZYME DISCOVERY FOR NATURAL PRODUCT BIOSYNTHESIS NATPRO TRANSFERASE
Ref.: STRUCTURAL BASIS FOR THE STEREOCHEMICAL CONTROL OF INSTALLATION IN NUCLEOTIDE SUGAR AMINOTRANSFERASES. ACS CHEM.BIOL. V. 10 2048 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
T5K E:500;
C:500;
G:500;
F:500;
D:500;
B:500;
H:500;
A:500;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
Atoms found MORE than expected: % Diff = 1.32;
none;
Atoms found MORE than expected: % Diff = 1.32;
none;
Atoms found MORE than expected: % Diff = 1.32;
Atoms found MORE than expected: % Diff = 1.32;
none;
submit data
776.471 C24 H35 N4 O19 P3 Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ZAH 2.24 Å EC: 2.6.1.59 CRYSTAL STRUCTURE OF SUGAR AMINOTRANSFERASE WECE WITH EXTERN ALDIMINE VII FROM ESCHERICHIA COLI K-12 ESCHERICHIA COLI (STRAIN K12) SUGAR AMINOTRANSFERASE STRUCTURAL GENOMICS PSI-BIOLOGY PRSTRUCTURE INITIATIVE ENZYME DISCOVERY FOR NATURAL PRODUCT BIOSYNTHESIS NATPRO TRANSFERASE
Ref.: STRUCTURAL BASIS FOR THE STEREOCHEMICAL CONTROL OF INSTALLATION IN NUCLEOTIDE SUGAR AMINOTRANSFERASES. ACS CHEM.BIOL. V. 10 2048 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4ZAH - T5K C24 H35 N4 O19 P3 Cc1c(c(c(c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4ZAH - T5K C24 H35 N4 O19 P3 Cc1c(c(c(c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4ZAH - T5K C24 H35 N4 O19 P3 Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: T5K; Similar ligands found: 34
No: Ligand ECFP6 Tc MDL keys Tc
1 T4K 1 1
2 T5K 1 1
3 TQP 0.830645 0.987805
4 7SG 0.830645 0.987805
5 1JB 0.603306 0.890244
6 TRH 0.603306 0.890244
7 18T 0.603306 0.890244
8 0FX 0.584 0.891566
9 4TG 0.578125 0.902439
10 T3F 0.568 0.891566
11 T3Q 0.568 0.891566
12 DAU 0.56 0.86747
13 MMF 0.559055 0.891566
14 FNF 0.55814 0.902439
15 1YF 0.55814 0.902439
16 T46 0.551181 0.890244
17 QDM 0.550388 0.858824
18 4RA 0.549669 0.926829
19 TDX 0.539683 0.878049
20 3R2 0.515625 0.857143
21 0N2 0.515385 0.880952
22 FUH 0.514493 0.891566
23 QUH 0.514493 0.891566
24 TTP 0.508333 0.853659
25 TYD 0.5 0.853659
26 3YN 0.496183 0.86747
27 DWN 0.496183 0.869048
28 UD0 0.475 0.915663
29 TMP 0.470085 0.841463
30 AKM 0.467153 0.872093
31 JHZ 0.467153 0.848837
32 TLO 0.461538 0.878049
33 O1G 0.456693 0.719512
34 T5A 0.42 0.852273
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4ZAH; Ligand: T5K; Similar sites found: 47
This union binding pocket(no: 1) in the query (biounit: 4zah.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2VHL GLP 0.02687 0.40669 1.51515
2 1AJS PLA 0.0002327 0.43233 1.76768
3 1M32 PLP 0.01483 0.42586 1.91257
4 4I9B 1KA 0.01683 0.40849 2.27273
5 1ZC9 PMP 0.0003514 0.4064 2.27273
6 2R2N PMP 0.0003264 0.49314 2.77778
7 5DDW 5B6 0.0007597 0.4004 3.05927
8 1HGX 5GP 0.01412 0.42116 3.27869
9 5GVL PLG 0.003168 0.41712 3.28283
10 5GVL GI8 0.003168 0.41712 3.28283
11 2P1E LAC 0.006739 0.43324 3.53698
12 3EI9 PL6 0.004942 0.40705 3.93519
13 4WXG 2BO 0.0008303 0.41191 4.29293
14 2WK9 PLG 0.003241 0.40864 5.14139
15 5KGS 6SR 0.001975 0.42954 5.30303
16 1OXO IK2 0.001299 0.437 5.55556
17 3PDB PMP 0.0000352 0.42003 5.55556
18 3PD6 PMP 0.00008269 0.40199 5.55556
19 3VP6 HLD 0.001136 0.4098 6.31313
20 4RKC PMP 0.0001835 0.40523 6.81818
21 4R5Z PMP 0.006429 0.40522 7.08447
22 5C79 PBU 0.03481 0.40227 8.66667
23 1PZM 5GP 0.02785 0.40588 9.47867
24 5X2Z 3LM 0.000552 0.42626 10.8586
25 5X30 7XF 0.0004288 0.40823 10.8586
26 5X30 4LM 0.0003375 0.40585 10.8586
27 3WGC PLG 0.0002662 0.40033 11.4369
28 1ELU CSS 0.0006999 0.40775 12.5641
29 1FC4 AKB PLP 0.0003115 0.41321 15.9601
30 2ZC0 PMP 0.0004507 0.40227 16.9192
31 2FNU PMP UD1 0.0000000004029 0.68922 28
32 3B8X G4M 0.00000000434 0.64378 29.4872
33 5W70 9YM 0.0000000192 0.55729 32.8283
34 5U23 TQP 0.0000000277 0.60552 32.9843
35 5K8B PDG 0.000000005052 0.58747 34.596
36 1O69 X04 0.000001096 0.43016 34.7716
37 2PO3 T4K 0.00000004342 0.60417 37.6263
38 1B9I PXG 0.0003418 0.46683 37.6289
39 2OGA PGU 0.00000001118 0.56919 38.8889
40 5W71 PLP 0.000000000471 0.58618 40.6566
41 5W71 9YM 0.0000004246 0.57513 40.6566
42 4K2M O1G 0.0000000007187 0.61852 43.1818
43 3NUB UD0 0.000000002414 0.64695 43.454
44 3FRK TQP 0.000000008827 0.62493 45.5764
45 3DR4 G4M 0.000000006089 0.64608 47.8261
46 1MDZ PLP 0.0002422 0.48653 47.8372
47 1MDZ DCS 0.0002615 0.48653 47.8372
Pocket No.: 2; Query (leader) PDB : 4ZAH; Ligand: T5K; 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: 4zah.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4ZAH; Ligand: T5K; 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: 4zah.bio4) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4ZAH; Ligand: T5K; Similar sites found: 8
This union binding pocket(no: 4) in the query (biounit: 4zah.bio4) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ZYJ PGU 0.002785 0.40293 2.267
2 3SHR CMP 0.02805 0.40191 3.01003
3 1LW4 TLP 0.0004698 0.40083 6.62824
4 4IYO 0JO 0.0007633 0.40154 6.81818
5 4IY7 KOU 0.0008349 0.40096 6.81818
6 4IY7 0JO 0.0008373 0.40079 6.81818
7 1ELU PDA 0.0006917 0.40226 12.5641
8 3QUG GIX 0.03398 0.40138 15.873
Pocket No.: 5; Query (leader) PDB : 4ZAH; Ligand: T5K; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4zah.bio2) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4ZAH; Ligand: T5K; 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: 4zah.bio2) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4ZAH; Ligand: T5K; Similar sites found: 2
This union binding pocket(no: 7) in the query (biounit: 4zah.bio3) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4ZSY RW2 0.0009275 0.40361 4.0404
2 2WK9 PLP 0.003887 0.40293 5.14139
Pocket No.: 8; Query (leader) PDB : 4ZAH; Ligand: T5K; 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: 4zah.bio3) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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