MolNFT v1 · #111053 · protein

Crystal structure of oxidised RV1284

4YF6 · Beta-carbonic anhydrase 1: “Crystal structure of oxidised RV1284”. X-ray diffraction, 3 ligands (ZN, MG, CL), 3 pockets (best druggability 0.64). MolNFT v1 #111053 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4YF6
Type: protein
Length: 652 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-carbonic anhydrase 1
EC: 4.2.1.1
UniProt: P9WPJ6
Ligands: ZN, MG, CL
Pockets: 3 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Beta-carbonic anhydrase 1 (EC 4.2.1.1)	protein	163	38% helix, 18% strand	P9WPJ6

Ligands and binding sites

ZN · Zinc ion · metal · 4 copies · chains A, B, C, D
MG · Magnesium ion · metal · 2 copies · chains A, C
CL · Chloride ion · ion · 2 copies · chains A, B, C, D

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

Pockets

3 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	508	0.64	0.76	65	empty
2	92	0.36	0.75	15	empty
3	90	0.35	0.74	14	empty

Interfaces

4 interfaces between chains.

C–D · 3889 Å² buried · 62 hydrogen bonds · protein-protein
A–B · 3864 Å² buried · 59 hydrogen bonds · protein-protein
B–C · 277 Å² buried · 4 hydrogen bonds · protein-protein
A–D · 41 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

4YF6 · Crystal structure of oxidised Rv1284 · the same entry in another collection · chain A against A, TM-score 1.00
P9WPJ6 · AlphaFold monomer V2.0 prediction for beta-carbonic anhydrase 1 (P9WPJ6) · 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 P9WPJ6
Elsewhere: RCSB PDB 4YF6 · PDBe 4YF6 · UniProt P9WPJ6

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.