Structure of PDB 5wmm Chain A Binding Site BS04

Receptor Information
>5wmm Chain A (length=870) Species: 349725 (Micromonospora sp. ML1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VGTIPERFAAVVAEQPEAVALVAADGEESWTYGELDRWANRIAHHLHARG
VGRQHRVALVMERSPLLVAAVLGTLKAGACYVPVEPTWPRARIDLVLADL
DPALVIDERLAEEDLTGYPTRPLDTADVGGEHLAYLMYTSGSTGTPKGVE
VSHRNVLSLALDPCWADADHQRVLVHAPPTFDASTYEMWVPLLHGGAAVV
APPGKLDAARLATLIAERGVTALWLPAGLFDLITQHHPKSFVQVREVWAG
GDVLSPAAVRRLVRDDGTLTVVNGYGPTETTTFAARYRMSAPARCKDPLP
IGEPMAGSRLYALDDRLRQVPQGVIGELYVGGDGVARGYANHPPLTSERF
VADPFGRPGERMYRTGDLVRWNHDGQLEFLGRVDEQVKIRGFRVEPGEIR
AALRKRDGVAQAVVVPRTDRLGERRLVAYVVPEVPAGADEDSTEHVEKWR
AIYDSMYDETATEIGNDFTGWKSSYTRDNIPLSEMRRWRDSVVEEVRGLR
ARRILEIGVGSGLLLGPLAPEAEAYWGTDFSLPVIERLEVQVGTDPCLKE
KVSLRCQHADVADGLPVKYFDTVILNSVVQYFPDAAYLSRVLDVALDRLA
PGGRILVGDVRNYGTLREFLTAVHHAQHPQDSASAVRAAVERAVLAEKEL
VIDPDFFTEWARTRPDVVAVDIRLKPGADQNELTRHRYEVILHKQPSQPL
RLADVRTANWGSEVPDLSGLETALARHGGRLRLARIPNARLVSEAVQCGV
PTNVGGTPLDPHELASWGGQRGYSVHCTWSAEAPGWFEAVIIPVDSGHCR
DGVYRPVGPRPRQLVNLPAAARRVSRLPSWLREELAAELPEHLVPGDIVV
MERLPLTTNGKIDHSRLPEV
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5wmm Chain A Residue 1008 [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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PDB5wmm Structural basis for backbone N-methylation by an interrupted adenylation domain.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		F212 G422
Binding residue
(residue number reindexed from 1)		F181 G391
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) T170 L190 T309 E310 K419 R424 K895
Catalytic site (residue number reindexed from 1) T139 L159 T278 E279 K388 R393 K861
Enzyme Commision number ?
External links