Structure of PDB 1sez Chain B Binding Site BS02

Receptor Information
>1sez Chain B (length=465) Species: 4097 (Nicotiana tabacum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKRVAVIGAGVSGLAAAYKLKIHGLNVTVFEAEGKAGGKLRSVSQDGLIW
DEGANTMTESEGDVTFLIDSLGLREKQQFPLSQNKRYIARNGTPVLLPSN
PIDLIKSNFLSTGSKLQMLLEPILWSHESVSGFFQRHFGKEVVDYLIDPF
VAGTCGGDPDSLSMHHSFPELWNLEKRFGSVILGAIRSKLSKTSANKKRQ
RGSFSFLGGMQTLTDAICKDLREDELRLNSRVLELSCSCTEDSAIDSWSI
ISASPHKRQSEEESFDAVIMTAPLCDVKSMKIAKRGNPFLLNFIPEVDYV
PLSVVITTFKRENVKYPLEGFGVLVPSKEQQHGLKTLGTLFSSMMFPDRA
PNNVYLYTTFVGGSRNRELAKASRTELKEIVTSDLKQLLGAEGEPTYVNH
LYWSKAFPLYGHNYDSVLDAIDKMEKNLPGLFYAGNHRGGLSVGKALSSG
CNAADLVISYLESVS
Ligand information
Ligand IDOMN
InChIInChI=1S/C12H6BrClF4N2O2/c1-20-10(12(16,17)18)8(13)9(19-20)5-2-4(11(21)22)6(14)3-7(5)15/h2-3H,1H3,(H,21,22)
InChIKeyYNMHKERYELPEEF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04Brc1c(nn(c1C(F)(F)F)C)c2cc(C(=O)O)c(Cl)cc2F
OpenEye OEToolkits 1.5.0Cn1c(c(c(n1)c2cc(c(cc2F)Cl)C(=O)O)Br)C(F)(F)F
CACTVS 3.341Cn1nc(c(Br)c1C(F)(F)F)c2cc(C(O)=O)c(Cl)cc2F
FormulaC12 H6 Br Cl F4 N2 O2
Name4-BROMO-3-(5'-CARBOXY-4'-CHLORO-2'-FLUOROPHENYL)-1-METHYL-5-TRIFLUOROMETHYL-PYRAZOL
ChEMBL
DrugBankDB03272
ZINC
PDB chain1sez Chain B Residue 604 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1sez Crystal structure of protoporphyrinogen IX oxidase: a key enzyme in haem and chlorophyll biosynthesis.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		R98 A174 G175 G178 L334 G354 V355 L356 L369 G370 T371 L372 F392
Binding residue
(residue number reindexed from 1)		R86 A152 G153 G156 L302 G322 V323 L324 L337 G338 T339 L340 F360
Annotation score1
Enzymatic activity
Enzyme Commision number 1.3.3.4: protoporphyrinogen oxidase.
Gene Ontology
Molecular Function
GO:0004729 oxygen-dependent protoporphyrinogen oxidase activity
GO:0016491 oxidoreductase activity
Biological Process
GO:0006779 porphyrin-containing compound biosynthetic process
GO:0006782 protoporphyrinogen IX biosynthetic process
GO:0006783 heme biosynthetic process
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1sez, PDBe:1sez, PDBj:1sez
PDBsum1sez
PubMed15057273
UniProtO24164|PPOM_TOBAC Protoporphyrinogen oxidase, mitochondrial (Gene Name=PPXII)

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