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MolNFT v1 · #20376 · protein

Crystal structure of CT610 from chlamydia trachomatis

1RCW: “Crystal structure of CT610 from chlamydia trachomatis”. X-ray diffraction, 1 ligand (FE), 1 pocket (best druggability 0.44). MolNFT v1 #20376 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1RCW
Type
protein
Length
640 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
CT610
UniProt
O84616
Ligands
FE
Pockets
1 · best druggability 0.44

Structure

x-ray diffraction · 2 distinct chains · 78% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CCT610protein21378% helix, 0% strandO84616
BCT610protein21478% helix, 0% strandO84616

Ligands and binding sites

  • FE · Fe (III) ion · metal · 6 copies · chains A, B, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11830.440.7423empty

Interfaces

2 interfaces between chains.

  • A–B · 987 Ų buried · 16 hydrogen bonds · protein-protein
  • B–C · 66 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 12 modified (engineered).

Compared structures

  • 1RCW · Crystal structure of CT610 from Chlamydia trachomatis · the same entry in another collection · chain A against A, TM-score 1.00
  • O84616 · AlphaFold monomer V2.0 prediction for probable oxidoreductase CT_610 (O84616) · a predicted model of the same protein · chain A against A, TM-score 0.99

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