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MolNFT v1 · #38835 · protein + DNA

Crystal structure of bacillus caldolyticus cold shock protein in complex with hexathymidine

2HAX · 5'-D(*TP*TP*TP*TP*TP*T)-3': “Crystal structure of bacillus caldolyticus cold shock protein in complex with hexathymidine”. X-ray diffraction, 1 ligand (CA). MolNFT v1 #38835 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
2HAX
Type
protein + DNA
Length
144 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-D(*TP*TP*TP*TP*TP*T)-3'; Cold shock protein cspb
UniProt
P41016
Ligands
CA

Structure

x-ray diffraction · 2 distinct chains · 5% helix, 64% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
C, D5'-D(*TP*TP*TP*TP*TP*T)-3'dna6——
A, BCold shock protein cspbprotein665% helix, 64% strandP41016

Ligands and binding sites

  • CA · Calcium ion · metal · chains C
  • MPD · (4S)-2-methyl-2,4-pentanediol · additive · 2 copies · chains D, A, C, B

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

Interfaces

5 interfaces between chains.

  • A–B · 2220 Ų buried · 36 hydrogen bonds · protein-protein
  • C–A · 601 Ų buried · 6 hydrogen bonds · protein-nucleic
  • D–B · 597 Ų buried · 7 hydrogen bonds · protein-nucleic
  • D–A · 264 Ų buried · 8 hydrogen bonds · protein-nucleic
  • C–B · 250 Ų buried · 7 hydrogen bonds · protein-nucleic

Compared structures

  • 2HAX · Crystal structure of Bacillus caldolyticus cold shock protein in complex with… · the same entry in another collection · chain C against C, TM-score 1.00
  • P41016 · AlphaFold monomer V2.0 prediction for cold shock protein cspb (P41016) · a predicted model of the same protein · chain A against A, TM-score 0.54

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