MolNFT v1 · #22496 · protein

Crystal structure of ADP bound TM379

1T6X · Riboflavin KINASE/FMN adenylyltransferase: “Crystal structure of ADP bound TM379”. X-ray diffraction, 1 ligand (ADP), 12 pockets (best druggability 0.87). MolNFT v1 #22496 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 1T6X
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: ADP
Pockets: 12 · best druggability 0.87

Structure

x-ray diffraction · 2 distinct chains · 32% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Riboflavin KINASE/FMN adenylyltransferase	protein	266	32% helix, 29% strand	Q9WZW1
B	Riboflavin KINASE/FMN adenylyltransferase	protein	270	32% helix, 27% strand	Q9WZW1

Ligands and binding sites

ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B

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

Pockets

12 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	752	0.87	0.90	62	empty
2	384	0.66	0.80	39	empty
3	98	0.56	0.85	19	empty
4	109	0.51	0.81	25	empty
5	165	0.49	0.77	22	empty

Interfaces

1 interface between chains.

A–B · 1031 Å² buried · 11 hydrogen bonds · protein-protein

Compared structures

1T6X · Crystal structure of ADP 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 1T6X · PDBe 1T6X · UniProt Q9WZW1

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