MolNFT v1 · #110368 · protein

Crystal structure of hydrolase aboph in beta lactamase superfamily

4XUK · Putative hydrolase: “Crystal structure of hydrolase aboph in beta lactamase superfamily”. X-ray diffraction, 1 ligand (ZN), 6 pockets (best druggability 0.84). MolNFT v1 #110368 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 4XUK
Type: protein
Length: 582 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative hydrolase
UniProt: G7GD18
Ligands: ZN
Pockets: 6 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Putative hydrolase	protein	291	30% helix, 29% strand	G7GD18

Ligands and binding sites

ZN · Zinc ion · metal · 4 copies · chains A, B

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

Pockets

6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	261	0.84	0.95	36	empty
2	204	0.58	0.80	28	empty
3	198	0.56	0.79	31	empty
4	164	0.52	0.79	35	empty
5	141	0.49	0.79	28	empty

Interfaces

1 interface between chains.

A–B · 1846 Å² buried · 22 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

4XUK · Crystal structure of hydrolase AbOPH in beta lactamase superfamily · the same entry in another collection · chain A 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 G7GD18
Elsewhere: RCSB PDB 4XUK · PDBe 4XUK · UniProt G7GD18

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