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5C37

Structure of the beta-ketoacyl reductase domain of human fatty acid synthase bound to a spiro-imidazolone inhibitor

Functional Information from PDB Data
site_idAC1
Number of Residues26
Detailsbinding site for residue NDP A 2201
ChainResidue
AGLY1891
AALA1972
AVAL1973
AVAL1974
ALYS1995
APHE2019
ASER2020
ASER2021
ATYR2034
ATRP2060
AGLY2061
AGLY1894
AILE2063
AGLY2067
AILE2068
ALEU2069
A4XN2202
AHOH2318
AHOH2364
AGLY1895
APHE1896
ATHR1915
ASER1916
AARG1917
AASN1945
ALEU1971

site_idAC2
Number of Residues13
Detailsbinding site for residue 4XN A 2202
ChainResidue
AHIS1263
APRO1264
ASER2021
ASER2023
AARG2026
AGLY2027
AASN2028
ATYR2034
AVAL2080
ASER2081
APHE2109
ANDP2201
AHOH2358

site_idAC3
Number of Residues3
Detailsbinding site for residue CL A 2203
ChainResidue
AARG1461
AARG1470
AHOH2339

site_idAC4
Number of Residues27
Detailsbinding site for residue NDP C 2201
ChainResidue
CGLY1891
CGLY1894
CGLY1895
CPHE1896
CTHR1915
CSER1916
CARG1917
CSER1918
CASN1945
CLEU1971
CALA1972
CVAL1973
CLYS1995
CPHE2019
CSER2020
CSER2021
CTYR2034
CTRP2060
CGLY2061
CILE2063
CGLY2067
CILE2068
C4XN2203
CHOH2321
CHOH2343
CHOH2350
CHOH2358

site_idAC5
Number of Residues4
Detailsbinding site for residue GOL C 2202
ChainResidue
CGLU1124
CPRO1222
CALA1223
CPHE1517

site_idAC6
Number of Residues14
Detailsbinding site for residue 4XN C 2203
ChainResidue
CHIS1263
CPRO1264
CSER2021
CVAL2022
CSER2023
CARG2026
CGLY2027
CASN2028
CTYR2034
CLEU2069
CVAL2080
CSER2081
CPHE2109
CNDP2201

site_idAC7
Number of Residues2
Detailsbinding site for residue CL C 2204
ChainResidue
CASN1234
CARG1461

site_idAC8
Number of Residues2
Detailsbinding site for residue CL C 2205
ChainResidue
CHOH2422
CHOH2424

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsBINDING: BINDING => ECO:0000250
ChainResidueDetails
ASER1886
CSER1886

site_idSWS_FT_FI2
Number of Residues2
DetailsMOD_RES: Phosphoserine => ECO:0007744|PubMed:24275569
ChainResidueDetails
ASER1174
CSER1174

site_idSWS_FT_FI3
Number of Residues2
DetailsMOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163, ECO:0007744|PubMed:24275569
ChainResidueDetails
ASER1411
CSER1411

site_idSWS_FT_FI4
Number of Residues4
DetailsMOD_RES: S-nitrosocysteine => ECO:0000269|PubMed:26851298
ChainResidueDetails
ACYS1471
ACYS2091
CCYS1471
CCYS2091

site_idSWS_FT_FI5
Number of Residues2
DetailsMOD_RES: N6-acetyllysine => ECO:0007744|PubMed:19608861
ChainResidueDetails
ALYS1995
CLYS1995

223532

PDB entries from 2024-08-07

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