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Crystal structure of borf, the flavin reductase component of a bacterial two-component tryptophan halogenase

Analyse Crystal structure of borf, the flavin reductase component of a bacterial… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5CHO
Type: protein
Length: 1,298 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Flavin reductase
UniProt: M9QXS1
Ligands: FAD
Pockets: 9 · best druggability 0.84

Structure

x-ray diffraction · 7 distinct chains · 19% helix, 45% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Flavin reductase	protein	165	19% helix, 45% strand	M9QXS1
B	Flavin reductase	protein	163	19% helix, 45% strand	M9QXS1
C	Flavin reductase	protein	165	19% helix, 44% strand	M9QXS1
D	Flavin reductase	protein	164	19% helix, 45% strand	M9QXS1
E	Flavin reductase	protein	161	19% helix, 46% strand	M9QXS1
F, G	Flavin reductase	protein	160	19% helix, 46% strand	M9QXS1
H	Flavin reductase	protein	160	19% helix, 46% strand	M9QXS1

Ligands and binding sites

FAD · Flavin-adenine dinucleotide · ligand · 8 copies · chains A, C, B, G, D, E, F, H

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

Pockets

9 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	1022	0.84	0.85	94	FAD
2	952	0.83	0.85	92	FAD
3	985	0.78	0.80	89	FAD
4	448	0.77	0.85	52	FAD
5	407	0.64	0.78	39	FAD

Interfaces

7 interfaces between chains.

C–D · 2393 Å² buried · 29 hydrogen bonds · protein-protein
A–B · 2372 Å² buried · 30 hydrogen bonds · protein-protein
E–F · 2205 Å² buried · 29 hydrogen bonds · protein-protein
G–H · 2150 Å² buried · 28 hydrogen bonds · protein-protein
A–C · 634 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

5CHO · Crystal Structure of BorF, the Flavin Reductase Component of a Bacterial Two-Component… · 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 M9QXS1
Elsewhere: RCSB PDB 5CHO · PDBe 5CHO · UniProt M9QXS1

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