MolNFT v1 · #60272 · protein + DNA

Mechanism of homologous recombination from the reca-SSDNA/DSDNA structures

3CMT · DNA (5'- D(*DTP*DTP*DTP*DTP*DTP*DCP*DCP*DCP*DAP*DCP*DCP*DTP*…: “Mechanism of homologous recombination from the reca-SSDNA/DSDNA structures”. X-ray diffraction, 3 ligands (ALF, ADP, MG), 20 pockets (best druggability 0.80). MolNFT v1…

PDB: 3CMT
Type: protein + DNA
Length: 3,254 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: DNA (5'- D(*DTP*DTP*DTP*DTP*DTP*DCP*DCP*DCP*DAP*DCP*DCP*DTP*DTP*DTP*DT)-3'); DNA…
UniProt: P0A7G6
Ligands: ALF, ADP, MG
Pockets: 20 · best druggability 0.80

Structure

x-ray diffraction · 4 distinct chains · 39% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B, E	DNA (5'- D(DTPDTPDTPDTPDTPDCPDCPDCPDAPDCPDCPDTPDTPDTP*DT)-3')	dna	12	—	—
C, F	DNA (5'-D(PDGPDGPDTPDGPDGPDG)-3')	dna	6	—	—
A	Protein reca	protein	1609	39% helix, 26% strand	P0A7G6
D	Protein reca	protein	1609	39% helix, 26% strand	P0A7G6

Ligands and binding sites

ALF · Tetrafluoroaluminate ion · ligand · 10 copies · chains A, D
ADP · Adenosine-5'-diphosphate · ligand · 10 copies · chains A, D
MG · Magnesium ion · metal · 10 copies · chains A, D

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	500	0.80	0.87	71	MG, ALF, ADP
2	284	0.79	0.91	39	MG, ALF, ADP
3	630	0.78	0.84	75	MG, ALF, ADP
4	688	0.78	0.83	75	MG, ALF, ADP
5	646	0.78	0.83	73	MG, ALF, ADP

Interfaces

8 interfaces between chains.

A–D · 2360 Å² buried · 21 hydrogen bonds · protein-protein
E–D · 2110 Å² buried · 33 hydrogen bonds · protein-nucleic
B–A · 2101 Å² buried · 34 hydrogen bonds · protein-nucleic
F–D · 589 Å² buried · 8 hydrogen bonds · protein-nucleic
C–A · 542 Å² buried · 5 hydrogen bonds · protein-nucleic

Compared structures

3CMT · Mechanism of homologous recombination from the RecA-ssDNA/dsDNA structures · the same entry in another collection · chain D against D, TM-score 1.00
P0A7G6 · AlphaFold monomer V2.0 prediction for protein reca (P0A7G6) · a predicted model of the same protein · chain A against A, TM-score 0.21

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 P0A7G6
Elsewhere: RCSB PDB 3CMT · PDBe 3CMT · UniProt P0A7G6

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