Receptor
PDB id Resolution Class Description Source Keywords
4M6G 2.1 Å EC: 3.5.1.28 STRUCTURE OF THE MYCOBACTERIUM TUBERCULOSIS PEPTIDOGLYCAN AM RV3717 IN COMPLEX WITH L-ALANINE-ISO-D-GLUTAMINE REACTION P MYCOBACTERIUM TUBERCULOSIS (STRAIN ATCH37RV) STRUCTURAL GENOMICS NIAID NATIONAL INSTITUTE OF ALLERGY ANINFECTIOUS DISEASES TB STRUCTURAL GENOMICS CONSORTIUM TBSBINDING HYDROLASE
Ref.: STRUCTURAL AND BIOCHEMICAL ANALYSES OF MYCOBACTERIU TUBERCULOSIS N-ACETYLMURAMYL-L-ALANINE AMIDASE RV37 TO A ROLE IN PEPTIDOGLYCAN FRAGMENT RECYCLING. J.BIOL.CHEM. V. 288 31549 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:401;
A:402;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
ALA ZGL A:403;
 Valid;
 none;
 submit data
217.225 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4M6G 2.1 Å EC: 3.5.1.28 STRUCTURE OF THE MYCOBACTERIUM TUBERCULOSIS PEPTIDOGLYCAN AM RV3717 IN COMPLEX WITH L-ALANINE-ISO-D-GLUTAMINE REACTION P MYCOBACTERIUM TUBERCULOSIS (STRAIN ATCH37RV) STRUCTURAL GENOMICS NIAID NATIONAL INSTITUTE OF ALLERGY ANINFECTIOUS DISEASES TB STRUCTURAL GENOMICS CONSORTIUM TBSBINDING HYDROLASE
Ref.: STRUCTURAL AND BIOCHEMICAL ANALYSES OF MYCOBACTERIU TUBERCULOSIS N-ACETYLMURAMYL-L-ALANINE AMIDASE RV37 TO A ROLE IN PEPTIDOGLYCAN FRAGMENT RECYCLING. J.BIOL.CHEM. V. 288 31549 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 4M6G - ALA ZGL n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 261 families.
1 4M6G - ALA ZGL n/a n/a
2 7AGO - ALA C3 H7 N O2 C[C@@H](C(....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 4M6G - ALA ZGL n/a n/a
2 7AGO - ALA C3 H7 N O2 C[C@@H](C(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ALA ZGL; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA ZGL 1 1
2 ALA DGL 0.675 0.96875
3 ALA GLU ALA VAL PRO TRP LYS SER GLU 0.465517 0.941176
4 ALA GLU ALA ALA GLN ALA 0.453125 0.941176
5 ILE GLU ILE 0.446429 0.914286
6 LEU GLU 0.44 0.857143
7 ALA GLU ASP ASP VAL GLU 0.421875 0.842105
8 ASP GLU 0.4 0.909091
9 ALA ILE GLU THR ASA 0.4 0.780488
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA ZGL; Similar ligands found: 37
No: Ligand Similarity coefficient
1 HCA 0.9164
2 ALA GLU 0.9163
3 ALA LEU 0.9086
4 DG2 0.9046
5 AQQ 0.9010
6 ALA GLN 0.8965
7 G01 0.8947
8 FWB 0.8893
9 ISJ 0.8880
10 BRR 0.8875
11 AQK 0.8857
12 ALA VAL ALA 0.8851
13 8PL 0.8794
14 DI9 0.8789
15 CDT 0.8787
16 RV1 0.8785
17 1N5 0.8773
18 HCT 0.8736
19 AVO 0.8726
20 ALA LYS 0.8721
21 C26 0.8718
22 DY8 0.8714
23 CIL 0.8699
24 EKN 0.8690
25 8PO 0.8680
26 MZM 0.8677
27 BGT 0.8672
28 7QD 0.8661
29 G88 0.8634
30 NLQ 0.8617
31 GGG 0.8598
32 3EB 0.8586
33 EV2 0.8560
34 GLY MET 0.8545
35 RI2 0.8527
36 HSA 0.8526
37 3C5 0.8525
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4M6G; Ligand: ALA ZGL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4m6g.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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