Structure of PDB 6pr2 Chain A Binding Site BS01

Receptor Information
>6pr2 Chain A (length=448) Species: 90371 (Salmonella enterica subsp. enterica serovar Typhimurium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDHLPIFCQLRDRDCLIVGGGDVAERKARLLLEAGARLTVNALTFIPQFT
VWANEGMLTLVEGPFDETLLDSCWLAIAATDDDTVNQRVSDAAESRRIFC
NVVDAPKAASFIMPSIIDRSPLMVAVSAGGTSPVLARLLREKLESLLPQH
LGQVARYAGQLRARVKKQFATMGERRRFWEKFFVNDRLAQSLANADEKAV
NATTERLFSEPLDHRGEVVLVGAGPGDAGLLTLKGLQQIQQADIVVYDRL
VSDDIMNLVRADADRVFVGKVPQEEINQILLREAQKGKRVVRLKGGDPFI
FGRGGEELETLCHAGIPFSVVPGITAASGCSAYSGIPLTHRDYAQSVRLV
TGHLKGELDWENLAAEKQTLVFYMGLNQAATIQEKLIAFGMQADMPVALV
ENGTSVKQRVVHGVLTQLGELAQQVESPALIIVGRVVALRDKLNWFSN
Ligand information
Ligand IDSAH
InChIInChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
InChIKeyZJUKTBDSGOFHSH-WFMPWKQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
CACTVS 3.341N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N
FormulaC14 H20 N6 O5 S
NameS-ADENOSYL-L-HOMOCYSTEINE
ChEMBLCHEMBL418052
DrugBankDB01752
ZINCZINC000004228232
PDB chain6pr2 Chain A Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6pr2 Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site.
Resolution2.16 Å
Binding residue
(original residue number in PDB)		G301 G302 D303 I306 F307 T331 A332 C336 Y381 M382 N410 G411 A437 L438
Binding residue
(residue number reindexed from 1)		G295 G296 D297 I300 F301 T325 A326 C330 Y373 M374 N402 G403 A429 L430
Annotation score5
Enzymatic activity
Enzyme Commision number 1.3.1.76: precorrin-2 dehydrogenase.
2.1.1.107: uroporphyrinogen-III C-methyltransferase.
4.99.1.4: sirohydrochlorin ferrochelatase.
Gene Ontology
Molecular Function
GO:0004325 ferrochelatase activity
GO:0004851 uroporphyrin-III C-methyltransferase activity
GO:0008168 methyltransferase activity
GO:0016491 oxidoreductase activity
GO:0016829 lyase activity
GO:0043115 precorrin-2 dehydrogenase activity
GO:0051266 sirohydrochlorin ferrochelatase activity
GO:0051287 NAD binding
Biological Process
GO:0006779 porphyrin-containing compound biosynthetic process
GO:0009236 cobalamin biosynthetic process
GO:0019354 siroheme biosynthetic process
GO:0032259 methylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6pr2, PDBe:6pr2, PDBj:6pr2
PDBsum6pr2
PubMed32054833
UniProtP25924|CYSG_SALTY Siroheme synthase (Gene Name=cysG)

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