Structure of PDB 1s4d Chain K Binding Site BS01

Receptor Information
>1s4d Chain K (length=258) Species: 43306 (Pseudomonas denitrificans (nom. rej.)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LFAGLPALEKGSVWLVGAGPGDPGLLTLHAANALRQADVIVHDALVNEDC
LKLARPGAVLEFAGKRGGPSPKQRDISLRLVELARAGNRVLRLKGGDPFV
FGRGGEEALTLVEHQVPFRIVPGITAGIGGLAYAGIPVTHREVNHAVTFL
TGHDSSGLVPDRINWQGIASGSPVIVMYMAMKHIGAITANLIAGGRSPDE
PVAFVCNAATPQQAVLETTLARAEADVAAAGLEPPAIVVVGEVVRLRAAL
DWIGALDG
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 chain1s4d Chain K Residue 5511 [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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PDB1s4d Structure/Function Studies on a S-Adenosyl-l-methionine-dependent Uroporphyrinogen III C Methyltransferase (SUMT), a Key Regulatory Enzyme of Tetrapyrrole Biosynthesis
Resolution2.7 Å
Binding residue
(original residue number in PDB)		G100 G101 D102 V105 F106 T130 A131 Y183 M184 N212 A213 P240 A241
Binding residue
(residue number reindexed from 1)		G95 G96 D97 V100 F101 T125 A126 Y178 M179 N207 A208 P235 A236
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D47 K69 M184
Catalytic site (residue number reindexed from 1) D43 K65 M179
Enzyme Commision number 2.1.1.107: uroporphyrinogen-III C-methyltransferase.
Gene Ontology
Molecular Function
GO:0004851 uroporphyrin-III C-methyltransferase activity
GO:0008168 methyltransferase activity
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:1s4d, PDBe:1s4d, PDBj:1s4d
PDBsum1s4d
PubMed15522295
UniProtP21631|SUMT_SINSX Uroporphyrinogen-III C-methyltransferase (Gene Name=cobA)

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