Structure of PDB 5t6b Chain D Binding Site BS02

Receptor Information
>5t6b Chain D (length=393) Species: 46161 (Actinomadura kijaniata) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ARCRVCGDTVDEFLDLGRQPLSDRFLTPADTDGEFFYRLAVGRCHACGMV
QLTEEVPRHLMFSVMREHFAMVARDFLATELTGPDPFVVEIGCNDGIMLR
AVHEAGVRHLGFEPSAGVAEVARSRGVRVRTEFFEKATATAVRESEGPAD
VIYAANTMCHIPYLESVFQGADALLGPDGVVVFEDPYLGDIVAKTSFDQI
YDEHFYLFSAGSVAAMAERFGFELVDVERLPVHGGEVRYTLARRGARTPT
EAVGRLLAEEREQGLDDLATLRTFAANVHTVRDELVALLTRLRAEGHRVV
GYGATAKSATVTNFCGIGPDLVSFVCDTTPGKQHRLTPGKHLPVRPAEAF
ADPYPDYALLFAWNHAEEIMAKEQEFHQAGGRWILYVPEVHIR
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 chain5t6b Chain D Residue 502 [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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PDB5t6b Structural studies on KijD1, a sugar C-3'-methyltransferase.
Resolution2.0 Å
Binding residue
(original residue number in PDB)
G113 N115 E134 P135 F154 F155 A176 N177 T178 I182
Binding residue
(residue number reindexed from 1)
G92 N94 E113 P114 F133 F134 A155 N156 T157 I161
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5t6b, PDBe:5t6b, PDBj:5t6b
PDBsum5t6b
PubMed27595766
UniProtB3TMQ9

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