MolNFT v1 · #96200 · protein

Crystal structure of the recor complex in an open conformation

4JCV · Recombination protein recr: “Crystal structure of the recor complex in an open conformation”. X-ray diffraction, 1 ligand (ZN), 19 pockets (best druggability 0.75). MolNFT v1 #96200 on GenesisL1: 3D structure, binding sites and…

PDB: 4JCV
Type: protein
Length: 1,206 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Recombination protein recr; DNA repair protein reco
UniProt: Q9ZNA2, Q9RW50
Ligands: ZN
Pockets: 19 · best druggability 0.75

Structure

x-ray diffraction · 5 distinct chains · 41% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Recombination protein recr	protein	196	45% helix, 14% strand	Q9ZNA2
C	Recombination protein recr	protein	191	40% helix, 13% strand	Q9ZNA2
D	Recombination protein recr	protein	196	42% helix, 13% strand	Q9ZNA2
E	DNA repair protein reco	protein	214	39% helix, 25% strand	Q9RW50
F	DNA repair protein reco	protein	213	40% helix, 24% strand	Q9RW50

Ligands and binding sites

ZN · Zinc ion · metal · 6 copies · chains A, B, C, D, E, F

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

Pockets

19 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	230	0.75	0.89	41	empty
2	707	0.71	0.78	64	empty
3	559	0.71	0.80	39	empty
4	50	0.68	0.95	14	empty
5	89	0.66	0.91	18	empty

Interfaces

13 interfaces between chains.

A–D · 2370 Å² buried · 49 hydrogen bonds · protein-protein
B–C · 2361 Å² buried · 47 hydrogen bonds · protein-protein
A–B · 2294 Å² buried · 12 hydrogen bonds · protein-protein
C–D · 1863 Å² buried · 5 hydrogen bonds · protein-protein
C–E · 857 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

4JCV · Crystal structure of the RecOR complex in an open conformation · the same entry in another collection · chain F against F, TM-score 1.00
Q9ZNA2 · AlphaFold monomer V2.0 prediction for recombination protein recr (Q9ZNA2) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 Q9ZNA2
Every structure of UniProt Q9RW50
Elsewhere: RCSB PDB 4JCV · PDBe 4JCV · UniProt Q9ZNA2 · UniProt Q9RW50

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