MolNFT v1 · #104229 · protein

Structure of the drrecq catalytic core in complex with ADP

4Q47 · DNA helicase recq: “Structure of the drrecq catalytic core in complex with ADP”. X-ray diffraction, 2 ligands (ADP, ZN), 16 pockets (best druggability 0.75). MolNFT v1 #104229 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 4Q47
Type: protein
Length: 1,015 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: DNA helicase recq
UniProt: Q9RUU2
Ligands: ADP, ZN
Pockets: 16 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	DNA helicase recq	protein	513	43% helix, 14% strand	Q9RUU2
B	DNA helicase recq	protein	502	42% helix, 15% strand	Q9RUU2

Ligands and binding sites

ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
ZN · Zinc ion · metal · 2 copies · chains A, B

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

Pockets

16 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	397	0.75	0.85	38	empty
2	644	0.74	0.80	68	empty
3	759	0.73	0.78	64	empty
4	78	0.60	0.89	19	empty
5	359	0.59	0.77	51	ADP

Interfaces

1 interface between chains.

A–B · 579 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

4Q47 · Structure of the DrRecQ Catalytic Core in complex with ADP · 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 Q9RUU2
Elsewhere: RCSB PDB 4Q47 · PDBe 4Q47 · UniProt Q9RUU2

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