MolNFT v1 · #22498 · protein

Crystal structure of riboflavin bound TM379

1T6Z · Riboflavin KINASE/FMN adenylyltransferase: “Crystal structure of riboflavin bound TM379”. X-ray diffraction, 1 ligand (RBF), 10 pockets (best druggability 0.86). MolNFT v1 #22498 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 1T6Z
Type: protein
Length: 536 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Riboflavin KINASE/FMN adenylyltransferase
UniProt: Q9WZW1
Ligands: RBF
Pockets: 10 · best druggability 0.86

Structure

x-ray diffraction · 2 distinct chains · 32% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Riboflavin KINASE/FMN adenylyltransferase	protein	266	31% helix, 29% strand	Q9WZW1
B	Riboflavin KINASE/FMN adenylyltransferase	protein	270	34% helix, 28% strand	Q9WZW1

Ligands and binding sites

RBF · Riboflavin · 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, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	937	0.86	0.88	96	empty
2	376	0.67	0.80	37	empty
3	131	0.52	0.81	22	RBF
4	135	0.52	0.80	23	RBF
5	130	0.52	0.80	23	empty

Interfaces

1 interface between chains.

A–B · 982 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

1T6Z · Crystal structure of riboflavin bound TM379 · 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 Q9WZW1
Elsewhere: RCSB PDB 1T6Z · PDBe 1T6Z · UniProt Q9WZW1

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