Receptor
PDB id Resolution Class Description Source Keywords
1WKM 2.3 Å EC: 3.4.11.18 THE PRODUCT BOUND FORM OF THE MN(II)LOADED METHIONINE AMINOPEPTIDASE FROM HYPERTHERMOPHILE PYROCOCCUS FURIOSUS PYROCOCCUS FURIOSUS AMINOPEPTIDASE HYPERTHERMOPHILE METHIONINE COMPLEX HYDROLASE
Ref.: EPR AND X-RAY CRYSTALLOGRAPHIC CHARACTERIZATION OF THE PRODUCT-BOUND FORM OF THE MNII-LOADED METHIONYL AMINOPEPTIDASE FROM PYROCOCCUS FURIOSUS BIOCHEMISTRY V. 44 121 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MET A:1298;
B:2298;
Valid;
Valid;
none;
none;
Ki = 150 mM
149.211 C5 H11 N O2 S CSCC[...
MN A:296;
A:297;
B:296;
B:297;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1WKM 2.3 Å EC: 3.4.11.18 THE PRODUCT BOUND FORM OF THE MN(II)LOADED METHIONINE AMINOPEPTIDASE FROM HYPERTHERMOPHILE PYROCOCCUS FURIOSUS PYROCOCCUS FURIOSUS AMINOPEPTIDASE HYPERTHERMOPHILE METHIONINE COMPLEX HYDROLASE
Ref.: EPR AND X-RAY CRYSTALLOGRAPHIC CHARACTERIZATION OF THE PRODUCT-BOUND FORM OF THE MNII-LOADED METHIONYL AMINOPEPTIDASE FROM PYROCOCCUS FURIOSUS BIOCHEMISTRY V. 44 121 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1WKM Ki = 150 mM MET C5 H11 N O2 S CSCC[C@@H]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1WKM Ki = 150 mM MET C5 H11 N O2 S CSCC[C@@H]....
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 1WKM Ki = 150 mM MET C5 H11 N O2 S CSCC[C@@H]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MET; Similar ligands found: 32
No: Ligand ECFP6 Tc MDL keys Tc
1 MET 1 1
2 MED 1 1
3 DBB 0.518519 0.655172
4 ABA 0.518519 0.655172
5 2FM 0.514286 0.666667
6 NVA 0.5 0.758621
7 MF3 0.5 0.647059
8 DAB 0.466667 0.636364
9 HSE 0.466667 0.617647
10 SME 0.457143 0.717949
11 MHO 0.457143 0.717949
12 HCS 0.451613 0.733333
13 API 0.451613 0.606061
14 CDT 0.447368 0.756757
15 2MM 0.444444 0.657143
16 NLE 0.441176 0.766667
17 ONL 0.441176 0.71875
18 UN1 0.428571 0.606061
19 11C 0.428571 0.606061
20 MSE 0.428571 0.9
21 GGL 0.424242 0.625
22 GLU 0.424242 0.625
23 DGL 0.424242 0.625
24 CBH 0.418605 0.685714
25 ORN 0.411765 0.65625
26 AME 0.410256 0.771429
27 FME 0.410256 0.84375
28 LEU 0.40625 0.666667
29 CYS 0.4 0.666667
30 C2N 0.4 0.633333
31 DCY 0.4 0.666667
32 JM6 0.4 0.7
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1WKM; Ligand: MET; Similar sites found: 17
This union binding pocket(no: 1) in the query (biounit: 1wkm.bio2) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5GG9 8GT 0.01561 0.40347 1.35593
2 3EMZ HXH 0.001408 0.4252 2.37288
3 4S00 AKR 0.0002913 0.47806 2.71186
4 2CET PGI 0.03693 0.40407 2.71186
5 1FH8 XYP XIF 0.001436 0.44941 3.05085
6 4P6C RES 0.01683 0.40424 3.36134
7 4ZUR 7XA 0.02668 0.40114 3.72881
8 2FGL XYS XYS XYS 0.001663 0.45165 4.40678
9 4L8V NAP 0.04121 0.40449 4.74576
10 5HQA ACR 0.02382 0.4035 4.74576
11 3L24 GOA 0.0000004665 0.5387 7.11864
12 5JR6 01B PRO PRO ALA NH2 0.000008848 0.57217 7.37952
13 1VBR XYS XYP 0.0009056 0.42464 7.45763
14 3B2Q ATP 0.01534 0.41911 8.13559
15 2VRQ XYP XYP AHR 0.009945 0.4171 8.13559
16 4ZWP M44 0.000001979 0.54813 12.8814
17 5M4Q PRO 0.0000002651 0.56647 17.9661
Pocket No.: 2; Query (leader) PDB : 1WKM; Ligand: MET; Similar sites found: 8
This union binding pocket(no: 2) in the query (biounit: 1wkm.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5APK 76E 0.02763 0.40969 1.88679
2 5NTW 98N 0.02712 0.41248 1.94553
3 3E9I XAH 0.01642 0.42621 2.0339
4 5K9B FMN 0.0129 0.41736 3.33333
5 3ILR SGN 0.04279 0.41669 3.72881
6 1QY1 PRZ 0.004249 0.44624 4.5977
7 3AI7 TPP 0.03323 0.40413 6.44068
8 2AEL SAZ 0.024 0.40338 6.44068
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