MolNFT v1 · #110764 · protein

Crystal structure of E.COLI CUTA1 E61V/C16A/C39A/C79A mutation

4Y6I · Divalent-cation tolerance protein cuta: “Crystal structure of E.COLI CUTA1 E61V/C16A/C39A/C79A mutation”. X-ray diffraction, 9 pockets (best druggability 0.72). MolNFT v1 #110764 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 4Y6I
Type: protein
Length: 629 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Divalent-cation tolerance protein cuta
UniProt: P69488
Pockets: 9 · best druggability 0.72

Structure

x-ray diffraction · 4 distinct chains · 34% helix, 42% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	Divalent-cation tolerance protein cuta	protein	103	36% helix, 43% strand	P69488
B	Divalent-cation tolerance protein cuta	protein	108	32% helix, 41% strand	P69488
D, E	Divalent-cation tolerance protein cuta	protein	104	36% helix, 43% strand	P69488
F	Divalent-cation tolerance protein cuta	protein	107	33% helix, 41% strand	P69488

Pockets

9 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	51	0.72	0.98	17	empty
2	153	0.60	0.83	19	empty
3	140	0.58	0.83	19	empty
4	110	0.56	0.84	18	empty
5	308	0.56	0.76	45	empty

Interfaces

9 interfaces between chains.

A–C · 1099 Å² buried · 14 hydrogen bonds · protein-protein
D–E · 1094 Å² buried · 16 hydrogen bonds · protein-protein
D–F · 1093 Å² buried · 13 hydrogen bonds · protein-protein
A–B · 1086 Å² buried · 15 hydrogen bonds · protein-protein
B–C · 1076 Å² buried · 16 hydrogen bonds · protein-protein

Compared structures

4Y6I · Crystal structure of E.coli CutA1 E61V/C16A/C39A/C79A mutation · the same entry in another collection · chain F against F, TM-score 1.00
P69488 · AlphaFold monomer V2.0 prediction for divalent-cation tolerance protein cuta (P69488) · a predicted model of the same protein · chain C 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 P69488
Elsewhere: RCSB PDB 4Y6I · PDBe 4Y6I · UniProt P69488

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