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4CM1

Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1A, B, C, D
(A, B, C, D)
PTERIDINE REDUCTASE 1polymer28830669.84UniProt (O76290)
Pfam (PF13561)
TRYPANOSOMA BRUCEI BRUCEI
2E, I, M, P
(A, B, C, D)
2,3-DIHYDROXY-1,4-DITHIOBUTANEnon-polymer154.34Chemie (DTT)
3F, J, N, Q
(A, B, C, D)
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATEnon-polymer743.44Chemie (NAP)
4G, K, O, R
(A, B, C, D)
5-(p-tolyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diaminenon-polymer239.34Chemie (IQW)
5H, L
(A, B)
ACETATE IONnon-polymer59.02Chemie (ACT)
6S, T, U, V
(A, B, C, D)
waterwater18.0886Chemie (HOH)
Sequence modifications
A, B, C, D: 1 - 268 (UniProt: O76290)
PDBExternal DatabaseDetails
Met -19-expression tag
Gly -18-expression tag
Ser -17-expression tag
Ser -16-expression tag
His -15-expression tag
His -14-expression tag
His -13-expression tag
His -12-expression tag
His -11-expression tag
His -10-expression tag
Ser -9-expression tag
Ser -8-expression tag
Gly -7-expression tag
Leu -6-expression tag
Val -5-expression tag
Pro -4-expression tag
Arg -3-expression tag
Gly -2-expression tag
Ser -1-expression tag
His 0-expression tag
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains4
Total formula weight122679.2
Non-Polymers*Number of molecules14
Total formula weight4665.8
All*Total formula weight127345.0
*Water molecules are not included.

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PDB entries from 2025-07-23

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