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 ID
SAH
InChI
InChI=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
InChIKey
ZJUKTBDSGOFHSH-WFMPWKQPSA-N
SMILES
Software
SMILES
CACTVS 3.341
N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
CACTVS 3.341
N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O
ACDLabs 10.04
O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N
Formula
C14 H20 N6 O5 S
Name
S-ADENOSYL-L-HOMOCYSTEINE
ChEMBL
CHEMBL418052
DrugBank
DB01752
ZINC
ZINC000004228232
PDB chain
5t6b Chain D Residue 502 [
Download ligand structure
] [
Download structure with residue number starting from 1
] [
View ligand structure
]
Receptor-Ligand Complex Structure
Global view
Local view
Structure summary
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
PDB
5t6b
Structural studies on KijD1, a sugar C-3'-methyltransferase.
Resolution
2.0 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 score
4
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
PDBsum
5t6b
PubMed
27595766
UniProt
B3TMQ9
[
Back to BioLiP
]