Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

4CMJ

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

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0047040molecular_functionpteridine reductase activity
B0000166molecular_functionnucleotide binding
B0047040molecular_functionpteridine reductase activity
C0000166molecular_functionnucleotide binding
C0047040molecular_functionpteridine reductase activity
D0000166molecular_functionnucleotide binding
D0047040molecular_functionpteridine reductase activity
Functional Information from PDB Data
site_idAC1
Number of Residues28
DetailsBINDING SITE FOR RESIDUE NAP A 1269
ChainResidue
AARG14
ATHR64
AASN93
AALA94
ASER95
ATHR126
ALEU159
ACYS160
ALYS178
APRO204
AGLY205
AILE15
ASER207
ALEU208
AUIH1270
AHOH2002
AHOH2003
AHOH2004
AHOH2008
AHOH2011
AHOH2039
ATYR34
AHIS35
AASN36
ASER37
AALA61
AASP62
ALEU63

site_idAC2
Number of Residues31
DetailsBINDING SITE FOR RESIDUE NAP B 1269
ChainResidue
BARG14
BILE15
BTYR34
BHIS35
BASN36
BSER37
BALA61
BASP62
BLEU63
BTHR64
BASN93
BALA94
BSER95
BTHR126
BLEU159
BCYS160
BTYR174
BLYS178
BPRO204
BGLY205
BSER207
BLEU208
BUIH1270
BHOH2004
BHOH2005
BHOH2010
BHOH2020
BHOH2023
BHOH2043
BHOH2044
BHOH2104

site_idAC3
Number of Residues29
DetailsBINDING SITE FOR RESIDUE NAP C 1269
ChainResidue
CARG14
CILE15
CTYR34
CHIS35
CASN36
CSER37
CALA61
CASP62
CLEU63
CTHR64
CASN93
CALA94
CSER95
CTHR126
CLEU159
CCYS160
CTYR174
CLYS178
CPRO204
CGLY205
CSER207
CLEU208
CUIH1270
CHOH2002
CHOH2003
CHOH2012
CHOH2031
CHOH2034
CHOH2059

site_idAC4
Number of Residues25
DetailsBINDING SITE FOR RESIDUE NAP D 1269
ChainResidue
DALA94
DSER95
DTHR126
DLEU159
DCYS160
DTYR174
DLYS178
DPRO204
DGLY205
DSER207
DUIH1270
DHOH2002
DHOH2003
DHOH2006
DARG14
DILE15
DTYR34
DHIS35
DASN36
DSER37
DALA61
DASP62
DLEU63
DTHR64
DASN93

site_idAC5
Number of Residues12
DetailsBINDING SITE FOR RESIDUE UIH A 1270
ChainResidue
ASER95
APHE97
AASP161
AMET163
ACYS168
ATYR174
APRO210
AMET213
ANAP1269
AHOH2056
AHOH2076
DHIS267

site_idAC6
Number of Residues11
DetailsBINDING SITE FOR RESIDUE UIH B 1270
ChainResidue
BARG14
BSER95
BPHE97
BASP161
BMET163
BTYR174
BVAL206
BPRO210
BNAP1269
BHOH2009
BHOH2010

site_idAC7
Number of Residues11
DetailsBINDING SITE FOR RESIDUE UIH C 1270
ChainResidue
CARG14
CSER95
CPHE97
CASP161
CMET163
CCYS168
CTYR174
CPRO210
CMET213
CNAP1269
CHOH2059

site_idAC8
Number of Residues11
DetailsBINDING SITE FOR RESIDUE UIH D 1270
ChainResidue
DARG14
DSER95
DPHE97
DASP161
DMET163
DCYS168
DTYR174
DLEU209
DTRP221
DNAP1269
DHOH2006

Functional Information from PROSITE/UniProt
site_idPS00061
Number of Residues29
DetailsADH_SHORT Short-chain dehydrogenases/reductases family signature. DamvdqpcmaFslYNMGKHALvGLTqSAA
ChainResidueDetails
AASP161-ALA189

Catalytic Information from CSA
site_idMCSA1
Number of Residues3
DetailsM-CSA 237
ChainResidueDetails
AARG14electrostatic stabiliser, hydrogen bond donor, steric role
AASP161hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
ATYR174electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay

site_idMCSA2
Number of Residues3
DetailsM-CSA 237
ChainResidueDetails
BARG14electrostatic stabiliser, hydrogen bond donor, steric role
BASP161hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
BTYR174electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay

site_idMCSA3
Number of Residues3
DetailsM-CSA 237
ChainResidueDetails
CARG14electrostatic stabiliser, hydrogen bond donor, steric role
CASP161hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
CTYR174electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay

site_idMCSA4
Number of Residues3
DetailsM-CSA 237
ChainResidueDetails
DARG14electrostatic stabiliser, hydrogen bond donor, steric role
DASP161hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
DTYR174electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay

238268

PDB entries from 2025-07-02

PDB statisticsPDBj update infoContact PDBjnumon