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Crystal structure of rntmm mutant Y207S soaking

Analyse Crystal structure of rntmm mutant Y207S soaking in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5IQ4
Type: protein
Length: 890 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Flavin-containing monooxygenase
UniProt: A3SLM3
Ligands: NAP, FAD
Pockets: 10 · best druggability 0.90

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Flavin-containing monooxygenase	protein	445	31% helix, 20% strand	A3SLM3

Ligands and binding sites

NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B

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

Pockets

10 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	1199	0.90	0.92	153	FAD
2	357	0.83	0.92	56	empty
3	153	0.53	0.80	21	empty
4	125	0.46	0.78	20	empty
5	120	0.46	0.78	17	empty

Interfaces

1 interface between chains.

A–B · 1768 Å² buried · 19 hydrogen bonds · protein-protein

Compared structures

5IQ4 · Crystal structure of RnTmm mutant Y207S soaking · 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 A3SLM3
Elsewhere: RCSB PDB 5IQ4 · PDBe 5IQ4 · UniProt A3SLM3

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