MolNFT v1 · #12353 · protein

Crystal structure of double mutant M37L,P40S E.COLI thioredoxin

1KEB · Thioredoxin 1: “Crystal structure of double mutant M37L,P40S E.COLI thioredoxin”. X-ray diffraction, 1 ligand (CU). MolNFT v1 #12353 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1KEB
Type: protein
Length: 216 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Thioredoxin 1
UniProt: P0AA25
Ligands: CU

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Thioredoxin 1	protein	108	32% helix, 27% strand	P0AA25

Ligands and binding sites

CU · Copper (II) ion · metal · 2 copies · chains A, B

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

Interfaces

1 interface between chains.

A–B · 286 Å² buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

1KEB · Crystal Structure of Double Mutant M37L,P40S E.coli Thioredoxin · the same entry in another collection · chain A against A, TM-score 1.00
P0AA25 · AlphaFold monomer V2.0 prediction for thioredoxin 1 (P0AA25) · a predicted model of the same protein · chain A against A, TM-score 0.97

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P0AA25
Elsewhere: RCSB PDB 1KEB · PDBe 1KEB · UniProt P0AA25

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