MolNFT v1 · #54594 · protein

Structure of QNRB1 (full length), a plasmid-mediated fluoroquinolone resistance protein

2XTW: “Structure of QNRB1 (full length), a plasmid-mediated fluoroquinolone resistance protein”. X-ray diffraction, 3 pockets (best druggability 0.72). MolNFT v1 #54594 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2XTW
Type: protein
Length: 845 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: QNRB1
UniProt: Q2I1Y8
Pockets: 3 · best druggability 0.72

Structure

x-ray diffraction · 4 distinct chains · 5% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	QNRB1	protein	213	5% helix, 27% strand	Q2I1Y8
B	QNRB1	protein	215	4% helix, 26% strand	Q2I1Y8
C	QNRB1	protein	209	4% helix, 23% strand	Q2I1Y8
D	QNRB1	protein	208	5% helix, 25% strand	Q2I1Y8

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	404	0.72	0.83	54	empty
2	952	0.71	0.76	59	empty
3	71	0.30	0.74	16	empty

Interfaces

4 interfaces between chains.

A–C · 951 Å² buried · 13 hydrogen bonds · protein-protein
B–C · 729 Å² buried · 9 hydrogen bonds · protein-protein
A–D · 579 Å² buried · 3 hydrogen bonds · protein-protein
B–D · 107 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

2XTW · Structure of QnrB1 (Full length), a plasmid-mediated fluoroquinolone resistance protein · 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 Q2I1Y8
Elsewhere: RCSB PDB 2XTW · PDBe 2XTW · UniProt Q2I1Y8

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