MolNFT v1 · #52575 · protein

BTGH84 in complex with stz

2W4X · O-glcnacase BT_4395: “BTGH84 in complex with stz”. X-ray diffraction, 2 ligands (STZ, CA), 9 pockets (best druggability 0.60). MolNFT v1 #52575 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2W4X
Type: protein
Length: 579 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: O-glcnacase BT_4395
EC: 3.2.1.52
UniProt: Q89ZI2
Ligands: STZ, CA
Pockets: 9 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	O-glcnacase BT_4395 (EC 3.2.1.52)	protein	579	47% helix, 14% strand	Q89ZI2

Ligands and binding sites

STZ · Streptozotocin · ligand · chains A
CA · Calcium ion · metal · chains A
GOL · Glycerol · additive · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	215	0.60	0.81	32	STZ
2	67	0.42	0.81	13	empty
3	52	0.41	0.82	12	empty
4	108	0.41	0.76	26	empty
5	143	0.40	0.74	22	empty

Compared structures

2W4X · BtGH84 in complex with STZ · the same entry in another collection · chain A against A, TM-score 1.00
Q89ZI2 · AlphaFold monomer V2.0 prediction for O-glcnacase BT_4395 (Q89ZI2) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 Q89ZI2
Elsewhere: RCSB PDB 2W4X · PDBe 2W4X · UniProt Q89ZI2

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