MolNFT v1 · #150546 · protein

Carbonic anhydrase CANCE103P from candida albicans

6GWU: “Carbonic anhydrase CANCE103P from candida albicans”. X-ray diffraction, 1 ligand (ZN), 10 pockets (best druggability 0.79). MolNFT v1 #150546 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6GWU
Type: protein
Length: 819 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Carbonic anhydrase
EC: 4.2.1.1
UniProt: Q5AJ71
Ligands: ZN
Pockets: 10 · best druggability 0.79

Structure

x-ray diffraction · 4 distinct chains · 48% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Carbonic anhydrase (EC 4.2.1.1)	protein	208	49% helix, 14% strand	Q5AJ71
B	Carbonic anhydrase (EC 4.2.1.1)	protein	205	48% helix, 15% strand	Q5AJ71
C	Carbonic anhydrase (EC 4.2.1.1)	protein	204	47% helix, 15% strand	Q5AJ71
D	Carbonic anhydrase (EC 4.2.1.1)	protein	202	47% helix, 14% strand	Q5AJ71

Ligands and binding sites

ZN · Zinc ion · metal · 4 copies · chains A, B, C, D
BME · Beta-mercaptoethanol · additive · 4 copies · chains A, B, C, D
PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, B
PGE · Triethylene glycol · additive · chains B

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

Pockets

10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	857	0.79	0.82	73	empty
2	705	0.70	0.77	57	empty
3	371	0.64	0.79	33	empty
4	352	0.64	0.79	29	empty
5	240	0.51	0.75	27	empty

Interfaces

6 interfaces between chains.

C–D · 3555 Å² buried · 50 hydrogen bonds · protein-protein
A–B · 3551 Å² buried · 46 hydrogen bonds · protein-protein
A–D · 536 Å² buried · 2 hydrogen bonds · protein-protein
B–C · 476 Å² buried · 4 hydrogen bonds · protein-protein
A–C · 210 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

6GWU · Carbonic anhydrase CaNce103p from Candida albicans · the same entry in another collection · chain D against D, TM-score 1.00
Q5AJ71 · AlphaFold monomer V2.0 prediction for carbonic anhydrase (Q5AJ71) · a predicted model of the same protein · chain B 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 Q5AJ71
Elsewhere: RCSB PDB 6GWU · PDBe 6GWU · UniProt Q5AJ71

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