MolNFT v1 · #40631 · protein

Structure of catalytic cpx-ATPase domain copb-B

2IYE · Copper-transporting ATPase: “Structure of catalytic cpx-ATPase domain copb-B”. X-ray diffraction, 1 ligand (SO4), 9 pockets (best druggability 0.64). MolNFT v1 #40631 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2IYE
Type: protein
Length: 498 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Copper-transporting ATPase
EC: 3.6.1.36
UniProt: Q97UU7
Ligands: SO4
Pockets: 9 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	Copper-transporting ATPase (EC 3.6.1.36)	protein	249	33% helix, 30% strand	Q97UU7

Ligands and binding sites

SO4 · Sulfate ion · ion · 2 copies · chains A, C

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

Pockets

9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	462	0.64	0.77	43	SO4
2	460	0.63	0.77	42	SO4
3	73	0.54	0.86	19	empty
4	77	0.49	0.83	18	empty
5	114	0.39	0.75	21	empty

Interfaces

1 interface between chains.

A–C · 590 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

2IYE · Structure of catalytic CPx-ATPase domain CopB-B · 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 Q97UU7
Elsewhere: RCSB PDB 2IYE · PDBe 2IYE · UniProt Q97UU7

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