Structure of PDB 9bib Chain B Binding Site BS01

Receptor Information

>9bib Chain B (length=789) Species: 10116 (Rattus norvegicus)

SIGIAVILVGTSDEVAIKDAHEKDDFHHLSVVPRVELVAMNETDPKSIIT
RICDLMSDRKIQGVVFADDTDQEAIAQILDFISAQTLTPILGIHGGSSMI
MADKDESSMFFQFGPSIEQQASVMLNIMEEYDWYIFSIVTTYFPGYQDFV
NKIRSTIENSFVGWELEEVLLLDMSLDDGDSKIQNQLKKLQSPIILLYCT
KEEATYIFEVANSVGLTGYGYTWIVPSLVAGDTDTVPSEFPTGLISVSYD
EWDYGLPARVRDGIAIITTAASDMLSEHSFIPEPKSSCYNTHEKRIYQSN
MLNRYLINVTFEGRNLSFSEDGYQMHPKLVIILLNKERKWERVGKWKDKS
LQMKYYVWPRMDDHLSIVTLEEAPFVIVESVDPLSGTCMRNTVPCQKRII
SENKTDEEPGYIKKCCKGFCIDILKKISKSVKFTYDLYLVTNGKHGKKIN
GTWNGMIGEVVMKRAYMAVGSLTINEERSEVVDFSVPFIETGISVMVSRS
NGTVSPSAFLEPFSADVWVMMFVMLLIVSAVAVFVFEYFSPGPSFTIGKA
IWLLWGLVFNNSVPVQNPKGTTSKIMVSVWAFFAVIFLASYTANLAAFMI
QEEYVDQVSGLSDKKFQRPNDFSPPFRFGTVPNGSTERNIRNNYAEMHAY
MGKFNQRGVDDALLSLKTGKLDAFIYDAAVLNYMAGRDEGCKLVTIGSGK
VFASTGYGIAIQKDSGWKRQVDLAILQLFGDGEMEELEALWLTGICHNEK
NEVMSSQLDIDNMAGVFYMLGAAMALSLITFICEHLFYW

Ligand information

• Ligand ID: GLU
• InChI: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
• InChIKey: WHUUTDBJXJRKMK-VKHMYHEASA-N
• SMILES:
  ACDLabs 12.01: O=C(O)C(N)CCC(=O)O
  OpenEye OEToolkits 1.7.0: C(CC(=O)O)C(C(=O)O)N
  OpenEye OEToolkits 1.7.0: C(CC(=O)O)[C@@H](C(=O)O)N
  CACTVS 3.370: N[C@@H](CCC(O)=O)C(O)=O
  CACTVS 3.370: N[CH](CCC(O)=O)C(O)=O
• Formula: C5 H9 N O4
• Name: GLUTAMIC ACID
• ChEMBL: CHEMBL575060
• DrugBank: DB00142
• ZINC: ZINC000001482113
• PDB chain: 9bib Chain B Residue 1001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 9bib Molecular mechanism of ligand-gating in NMDA receptor channel
• Resolution: 3.81 Å
• Binding residue (original residue number in PDB): H486 T514 R519 G689 S690 Y731 D732
• Binding residue (residue number reindexed from 1): H445 T473 R478 G634 S635 Y676 D677
• Annotation score: 4

External links

• PDB: RCSB:9bib, PDBe:9bib, PDBj:9bib
• PDBsum: 9bib
• UniProt: G3V746