MolNFT v1 · #10807 · protein

Creatininase zn

1J2U · Creatinine amidohydrolase: “Creatininase zn”. X-ray diffraction, 2 ligands (ZN, SO4), 20 pockets (best druggability 0.84). MolNFT v1 #10807 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1J2U
Type: protein
Length: 1,542 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Creatinine amidohydrolase
EC: 3.5.2.10
UniProt: P83772
Ligands: ZN, SO4
Pockets: 20 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 12% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F	Creatinine amidohydrolase (EC 3.5.2.10)	protein	257	48% helix, 12% strand	P83772

Ligands and binding sites

ZN · Zinc ion · metal · 12 copies · chains A, B, C, D, E, F
SO4 · Sulfate ion · ion · 10 copies · chains A, B, C, D, E, F

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1065	0.84	0.85	97	ZN
2	1067	0.84	0.85	95	ZN
3	1084	0.84	0.84	101	ZN
4	878	0.80	0.83	80	empty
5	60	0.75	0.99	14	empty

Interfaces

12 interfaces between chains.

B–C · 1964 Å² buried · 47 hydrogen bonds · protein-protein
D–E · 1949 Å² buried · 42 hydrogen bonds · protein-protein
A–F · 1930 Å² buried · 45 hydrogen bonds · protein-protein
A–B · 1494 Å² buried · 34 hydrogen bonds · protein-protein
C–D · 1478 Å² buried · 32 hydrogen bonds · protein-protein

Compared structures

1J2U · Creatininase Zn · the same entry in another collection · chain F against F, TM-score 1.00
P83772 · AlphaFold monomer V2.0 prediction for creatinine amidohydrolase (P83772) · a predicted model of the same protein · chain E against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P83772
Elsewhere: RCSB PDB 1J2U · PDBe 1J2U · UniProt P83772

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