Structure of PDB 7mys Chain B Binding Site BS02

Receptor Information
>7mys Chain B (length=239) Species: 470 (Acinetobacter baumannii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HVFFAVITLFPEMFDAITAYGISGRAAKRDIVQVTCINPRDFAERRVDER
PFGGGPGMVMMAEPLAKAINHAKQLASRAGCVHVPVVYMSPQGKTLNEQA
VQQFVDYDGLIVLCGRYEGVDERLIQHYVDQEWSIGDYVLSGGELPAMVL
LDSIIRRLPNVQSAIQDSFVDGLLDCPQYTKPDQFEGLDVPEILKSGHHA
NIEKWRFLQRYQRTLERRPELIEQVTLTKQQKKWLSDEQ
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 chain7mys Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7mys Crystal structure of a tRNA (guanine-N1)-methyltransferase from Acinetobacter baumannii AB5075-UW bound to S-adenosyl homocysteine
Resolution2.4 Å
Binding residue
(original residue number in PDB)		Y90 M91 S92 P93 G117 Y119 E120 I137 Y140 L142 S143 G144 G145 P148
Binding residue
(residue number reindexed from 1)		Y88 M89 S90 P91 G115 Y117 E118 I135 Y138 L140 S141 G142 G143 P146
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) P93 E120 R158 D173
Catalytic site (residue number reindexed from 1) P91 E118 R156 D167
Enzyme Commision number 2.1.1.228: tRNA (guanine(37)-N(1))-methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0052906 tRNA (guanine(37)-N1)-methyltransferase activity
Biological Process
GO:0002939 tRNA N1-guanine methylation
GO:0006400 tRNA modification
GO:0008033 tRNA processing
GO:0032259 methylation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7mys, PDBe:7mys, PDBj:7mys
PDBsum7mys
PubMed
UniProtB0V8J1|TRMD_ACIBY tRNA (guanine-N(1)-)-methyltransferase (Gene Name=trmD)

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