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MolNFT v1 · #164592 · protein + DNA

Cryo-EM structure of the recbcd in complex with chi-PLUS2 substrate

6T2V · Recbcd enzyme subunit recb: “Cryo-EM structure of the recbcd in complex with chi-PLUS2 substrate”. Electron microscopy, 20 pockets (best druggability 0.82). MolNFT v1 #164592 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
6T2V
Type
protein + DNA
Length
2,901 residues
Chains
4
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Recbcd enzyme subunit recb; Recbcd enzyme subunit recc; Recbcd enzyme subunit recd; DNA…
EC
3.1.11.5
UniProt
P08394, P07648, P04993
Pockets
20 · best druggability 0.82

Structure

electron microscopy · 4 distinct chains · 45% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BRecbcd enzyme subunit recb (EC 3.1.11.5)protein112947% helix, 13% strandP08394
CRecbcd enzyme subunit recc (EC 3.1.11.5)protein112146% helix, 12% strandP07648
DRecbcd enzyme subunit recd (EC 3.1.11.5)protein59742% helix, 14% strandP04993
XDNA (chi-PLUS2)dna54——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111210.820.84104empty
211350.810.82128empty
311330.790.81109empty
48380.740.7986empty
54260.740.8463empty

Interfaces

6 interfaces between chains.

  • B–C · 6978 Ų buried · 65 hydrogen bonds · protein-protein
  • B–X · 1633 Ų buried · 14 hydrogen bonds · protein-nucleic
  • C–D · 1368 Ų buried · 7 hydrogen bonds · protein-protein
  • D–X · 1059 Ų buried · 11 hydrogen bonds · protein-nucleic
  • C–X · 845 Ų buried · 3 hydrogen bonds · protein-nucleic

Compared structures

  • 6T2V · Cryo-EM structure of the RecBCD in complex with Chi-plus2 substrate · the same entry in another collection · chain B against B, TM-score 1.00
  • P04993 · AlphaFold monomer V2.0 prediction for recbcd enzyme subunit recd (P04993) · a predicted model of the same protein · chain D against A, TM-score 0.94
  • P07648 · AlphaFold monomer V2.0 prediction for recbcd enzyme subunit recc (P07648) · a predicted model of the same protein · chain C against A, TM-score 0.94
  • P08394 · AlphaFold monomer V2.0 prediction for recbcd enzyme subunit recb (P08394) · a predicted model of the same protein · chain B against A, TM-score 0.82

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