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MolNFT v1 · #126799 · protein

Structure of the family B DNA polymerase from the hyperthermophilic archaeon pyrobaculum calidifontis

5MDN: “Structure of the family B DNA polymerase from the hyperthermophilic archaeon pyrobaculum calidifontis”. X-ray diffraction, 1 ligand (MG), 20 pockets (best druggability 0.77). MolNFT v1 #126799 on GenesisL1: 3D structure, binding…

PDB
5MDN
Type
protein
Length
1,522 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA polymerase
EC
2.7.7.7
UniProt
A3MV07
Ligands
MG
Pockets
20 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BDNA polymerase (EC 2.7.7.7)protein76138% helix, 23% strandA3MV07

Ligands and binding sites

  • MG · Magnesium ion · metal · 6 copies · chains A, B

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

Pockets

20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19370.770.7954empty
211650.760.79100MG
39270.740.7757MG
48230.730.7857empty
53640.680.8136empty

Interfaces

1 interface between chains.

  • A–B · 540 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 5MDN · Structure of the family B DNA polymerase from the hyperthermophilic archaeon Pyrobaculum… · the same entry in another collection · chain A against A, TM-score 1.00

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