Receptor
PDB id Resolution Class Description Source Keywords
4M6G 2.1 Å EC: 3.5.-.- STRUCTURE OF THE MYCOBACTERIUM TUBERCULOSIS PEPTIDOGLYCAN AM RV3717 IN COMPLEX WITH L-ALANINE-ISO-D-GLUTAMINE REACTION P MYCOBACTERIUM TUBERCULOSIS 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 B:1;
Valid;
none;
submit data
217.225 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4M6G 2.1 Å EC: 3.5.-.- STRUCTURE OF THE MYCOBACTERIUM TUBERCULOSIS PEPTIDOGLYCAN AM RV3717 IN COMPLEX WITH L-ALANINE-ISO-D-GLUTAMINE REACTION P MYCOBACTERIUM TUBERCULOSIS 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 3 families.
1 4M6G - ALA ZGL n/a n/a
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 4M6G - ALA ZGL n/a n/a
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 4M6G - ALA ZGL n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ALA ZGL; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA ZGL 1 1
2 ALA DGL 0.675 0.875
3 ALA GLU 0.478261 0.84375
4 LEU GLU 0.469388 0.8
5 ALA GLU ALA VAL PRO TRP LYS SER GLU 0.465517 0.911765
6 ALA LEU 0.454545 0.657143
7 ALA GLU ALA ALA GLN ALA 0.453125 0.941176
8 ALA LYS 0.446809 0.75
9 ILE GLU ILE 0.431034 0.885714
10 ALA ARG 0.423077 0.690476
11 ALA GLU ASP ASP VAL GLU 0.421875 0.815789
12 GLU VAL 0.408163 0.823529
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4M6G; Ligand: ALA ZGL; Similar sites found: 28
This union binding pocket(no: 1) in the query (biounit: 4m6g.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KPB SAM 0.0004211 0.49547 None
2 4D81 ADP 0.009105 0.42383 None
3 3KH5 ADP 0.03624 0.43064 1.33333
4 3KH5 AMP 0.02789 0.42967 1.33333
5 3G5D 1N1 0.01871 0.43947 1.77778
6 2IXB A2G 0.03525 0.42068 1.77778
7 2IXB NAD 0.02644 0.42068 1.77778
8 2WKQ GTP 0.02323 0.40644 2.66667
9 1KUK PCA LYS TRP 0.01973 0.40079 2.95567
10 3WLE NAD 0.04638 0.41019 3.11111
11 2GZM DGL 0.01254 0.407 3.11111
12 2X4Z X4Z 0.04153 0.4059 3.11111
13 2GQT FAD 0.01577 0.44791 3.55556
14 3AI7 TPP 0.02241 0.41662 3.55556
15 4C0X AQN 0.02729 0.41867 3.94089
16 4C0X FMN 0.02232 0.41867 3.94089
17 1XRO LEU 0.04437 0.40576 4
18 4H4D 10E 0.004839 0.43227 4.44444
19 5T0B SIA GAL NAG 0.01744 0.41437 5.33333
20 1HG4 LPP 0.03583 0.40586 5.33333
21 4GAA BES 0.02186 0.40059 5.33333
22 2YAK OSV 0.01606 0.42528 5.77778
23 2Z6I FMN 0.02201 0.4094 6.22222
24 1EP2 ORO 0.04543 0.40691 6.66667
25 1CF2 NAP 0.04175 0.40502 6.66667
26 1V9N NDP 0.03396 0.4114 9.77778
27 1E5D FMN 0.01968 0.41316 11.1111
28 1RPN NDP 0.02868 0.42086 11.5556
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