MolNFT v1 · #122220 · protein

Staphylococcus aureus opuca

5IIP · Glycine BETAINE/CARNITINE/CHOLINE ABC TRANSPORTER%2C ATP…: “Staphylococcus aureus opuca”. X-ray diffraction, 9 pockets (best druggability 0.62). MolNFT v1 #122220 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5IIP
Type: protein
Length: 464 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glycine BETAINE/CARNITINE/CHOLINE ABC TRANSPORTER%2C ATP- binding PROTEIN%2C putative
UniProt: A0A0D6GYR3
Pockets: 9 · best druggability 0.62

Structure

x-ray diffraction · 4 distinct chains · 36% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Glycine BETAINE/CARNITINE/CHOLINE ABC TRANSPORTER%2C ATP- binding PROTEIN%2C putative	protein	116	33% helix, 27% strand	A0A0D6GYR3
B	Glycine BETAINE/CARNITINE/CHOLINE ABC TRANSPORTER%2C ATP- binding PROTEIN%2C putative	protein	115	38% helix, 25% strand	A0A0D6GYR3
C	Glycine BETAINE/CARNITINE/CHOLINE ABC TRANSPORTER%2C ATP- binding PROTEIN%2C putative	protein	116	35% helix, 27% strand	A0A0D6GYR3
D	Glycine BETAINE/CARNITINE/CHOLINE ABC TRANSPORTER%2C ATP- binding PROTEIN%2C putative	protein	117	37% helix, 26% strand	A0A0D6GYR3

Pockets

9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	442	0.62	0.77	50	empty
2	119	0.61	0.87	24	empty
3	178	0.61	0.83	26	empty
4	196	0.53	0.78	32	empty
5	166	0.47	0.76	22	empty

Interfaces

3 interfaces between chains.

A–D · 894 Å² buried · 16 hydrogen bonds · protein-protein
B–C · 769 Å² buried · 14 hydrogen bonds · protein-protein
A–C · 113 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

5IIP · Staphylococcus aureus OpuCA · 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 A0A0D6GYR3
Elsewhere: RCSB PDB 5IIP · PDBe 5IIP · UniProt A0A0D6GYR3

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