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MolNFT v1 · #143009 · protein + DNA

Structure of streptomyces venezuelae bldc-whii opt complex

6AMK · Putative DNA-binding protein: “Structure of streptomyces venezuelae bldc-whii opt complex”. X-ray diffraction, 4 pockets (best druggability 0.48). MolNFT v1 #143009 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6AMK
Type
protein + DNA
Length
147 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative DNA-binding protein; DNA (5'- D(*TP*TP*CP*AP*AP*TP*TP*CP*GP*GP*GP*TP*AP*AP*TP*TP*…
UniProt
A0A0M7QSG5
Pockets
4 · best druggability 0.48

Structure

x-ray diffraction · 4 distinct chains · 47% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative DNA-binding proteinprotein5250% helix, 17% strandA0A0M7QSG5
BPutative DNA-binding proteinprotein5143% helix, 18% strandA0A0M7QSG5
RDNA (5'- D(*TP*TP*CP*AP*AP*TP*TP*CP*GP*GP*GP*TP*AP*AP*TP*TP*CP*GP*GP*GP*CP*A)- 3')dna22——
ZDNA (5'- D(*AP*AP*TP*GP*TP*CP*CP*GP*AP*AP*TP*TP*AP*CP*CP*CP*GP*AP*AP*TP*TP*G)- 3')dna22——

Pockets

4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11390.480.7816empty
21530.470.7718empty
3710.350.7814empty
4550.320.7613empty

Interfaces

6 interfaces between chains.

  • R–Z · 919 Ų buried · 97 hydrogen bonds · nucleic-nucleic
  • A–Z · 466 Ų buried · 11 hydrogen bonds · protein-nucleic
  • B–Z · 431 Ų buried · 7 hydrogen bonds · protein-nucleic
  • A–R · 366 Ų buried · 12 hydrogen bonds · protein-nucleic
  • A–B · 363 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 modified (engineered).

Compared structures

  • 6AMK · Structure of Streptomyces venezuelae BldC-whiI opt complex · the same entry in another collection · chain A against A, TM-score 1.00

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