Structure of PDB 5xlx Chain C Binding Site BS01

Receptor Information
>5xlx Chain C (length=201) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLWFRDTYPFEVLKQRVLPELIKANGGQRLRIWSAACSSGQEPYSLSMAI
DEFEKTNLGQLKAGVQIVATDLSGSMLTAAKAGEYDTLAMGRGLSPERLQ
RYFDAKGPGRWAVKPAIRSRVEFRALNLLDSYASLGKFDMVFCRNVLIYF
SAEVKRDILLRIHGTLKPGGYLFLGASEALNNLPDHYQMVQCSPGIIYRA
K
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 chain5xlx Chain C Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5xlx Structural basis for the regulation of chemotaxis by MapZ in the presence of c-di-GMP
Resolution1.969 Å
Binding residue
(original residue number in PDB)		T74 R78 A109 S111 E115 D144 L145 N200 L201 R217 N218 V219 F223
Binding residue
(residue number reindexed from 1)		T1 R5 A36 S38 E42 D71 L72 N127 L128 R144 N145 V146 F150
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D144
Catalytic site (residue number reindexed from 1) D71
Enzyme Commision number 2.1.1.80: protein-glutamate O-methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0008757 S-adenosylmethionine-dependent methyltransferase activity
GO:0008983 protein-glutamate O-methyltransferase activity
Biological Process
GO:0032259 methylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5xlx, PDBe:5xlx, PDBj:5xlx
PDBsum5xlx
PubMed28777083
UniProtO87131|CHER1_PSEAE Chemotaxis protein methyltransferase 1 (Gene Name=cheR1)

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