Receptor
PDB id Resolution Class Description Source Keywords
4RZB 1.86 Å EC: 3.-.-.- THE STRUCTURE OF N-FORMIMINO-L-GLUTAMATE IMINOHYDROLASE FROM PSEUDOMONAS AERUGINOSA COMPLEXED WITH N-FORMIMINO-L-ASPARTAW ITH MERCURY PSEUDOMONAS AERUGINOSA PAO1 AMIDOHYDROLASE FOLD N-FORMIMINO-L-GLUTAMATE IMINOHYDROLASEFORMIMINO-L-ASPARTATE HYDROLASE
Ref.: STRUCTURE OF N-FORMIMINO-L-GLUTAMATE IMINOHYDROLASE PSEUDOMONAS AERUGINOSA. BIOCHEMISTRY V. 54 890 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 B:507;
A:506;
B:508;
B:506;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
ZN A:502;
B:502;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
NFQ A:501;
B:501;
Valid;
Valid;
none;
none;
Ki = 30 uM
160.128 C5 H8 N2 O4 [H]/N...
GOL A:507;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4RZB 1.86 Å EC: 3.-.-.- THE STRUCTURE OF N-FORMIMINO-L-GLUTAMATE IMINOHYDROLASE FROM PSEUDOMONAS AERUGINOSA COMPLEXED WITH N-FORMIMINO-L-ASPARTAW ITH MERCURY PSEUDOMONAS AERUGINOSA PAO1 AMIDOHYDROLASE FOLD N-FORMIMINO-L-GLUTAMATE IMINOHYDROLASEFORMIMINO-L-ASPARTATE HYDROLASE
Ref.: STRUCTURE OF N-FORMIMINO-L-GLUTAMATE IMINOHYDROLASE PSEUDOMONAS AERUGINOSA. BIOCHEMISTRY V. 54 890 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 218 families.
1 4RZB Ki = 30 uM NFQ C5 H8 N2 O4 [H]/N=C/N[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 176 families.
1 4RZB Ki = 30 uM NFQ C5 H8 N2 O4 [H]/N=C/N[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 143 families.
1 4RZB Ki = 30 uM NFQ C5 H8 N2 O4 [H]/N=C/N[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NFQ; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 NFQ 1 1
2 NIG 0.527778 0.870968
3 OEM 0.46875 0.69697
4 NCD 0.428571 0.777778
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4RZB; Ligand: NFQ; Similar sites found: 18
This union binding pocket(no: 1) in the query (biounit: 4rzb.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2Q09 DI6 0.00396 0.42221 2.16346
2 1ODM ASV 0.007919 0.42976 2.41692
3 5UR1 YY9 0.03808 0.4112 2.57235
4 3QFU ADP 0.01773 0.40202 2.79188
5 1LN1 DLP 0.01989 0.41831 2.80374
6 2A1L PCW 0.04089 0.41122 3.7037
7 3EWC MCF 0.0000173 0.43569 3.77358
8 3BY9 SIN 0.01002 0.40947 3.84615
9 3RV5 DXC 0.0003197 0.5602 4.49438
10 2ADA HPR 0.002018 0.44857 4.82955
11 3LGG CFE 0.00009736 0.46479 5.73951
12 4UCC ZKW 0.02119 0.41782 7.29614
13 2G3F IZC 0.00239 0.42676 10.1545
14 4CQB MLI 0.008856 0.41252 17.4393
15 3KP6 SAL 0.01737 0.40099 19.8675
16 4GBD MCF 0.000001502 0.49043 21.6336
17 2ZFU SAH 0.01688 0.40837 26.0465
18 1P1M MET 0.0000003198 0.49681 38.67
Pocket No.: 2; Query (leader) PDB : 4RZB; Ligand: NFQ; 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: 4rzb.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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