Structure of PDB 3sxq Chain A Binding Site BS09

Receptor Information

>3sxq Chain A (length=519) Species: 108010 (Thioalkalivibrio paradoxus)

QLKPVDALQCYDCHTQIEDMHVVGKHATVNCVHCHDATEHVETASARRMG
ERPVTHTSPEACASCHTAQFNSFASVRHESHPREEKANPRSRSPKFDTLI
GAHGFSLEHAEPRSHAFMLVDHFIVDRAYGGRFQYKSWQNVTDGLGAVRG
AWTVIEDMDPTTSDQRRFLAQTATAANPVCLNCKTQDHILDWAYMGDEHD
AAKWARTSKVVDFARDLHHPVNCYMCHDPHSTEPRVVRDALIHAVVDQGL
GTYPYDEAKSEHVTLTPVTFQRGGEDFRKIGLLNVADSNLMCGQCHVEYN
CNPGFQQSDGAPVGMDDRRTNHFFWANVFDYAEAAKEIDFFDFTHVTTGA
PLPKLQHPELETFWGSTHERNGVTCADCHMPRVKLENGKEYTMHSPRTPR
DMMNRACLNCHDGWTEAEAEYAIDYIKNYTHGKIMKAEFWLARMIDLFPV
AKRAGVSEDVLNEVRALHYDAHLHWEWWTAENSVGFHNPDQARESLMKSI
TKSKEGVGKLDAAIDAAVA

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 3sxq Chain A Residue 526

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3sxq Comparative structural and functional analysis of two octaheme nitrite reductases from closely related Thioalkalivibrio species.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): E302 Y303 K358 Q360
• Binding residue (residue number reindexed from 1): E298 Y299 K354 Q356
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.7.2.2: nitrite reductase (cytochrome; ammonia-forming).

Gene Ontology

Molecular Function

• GO:0016491 oxidoreductase activity
• GO:0020037 heme binding
• GO:0042279 nitrite reductase (cytochrome, ammonia-forming) activity
• GO:0046872 metal ion binding

Biological Process

• GO:0019645 anaerobic electron transport chain

Cellular Component

• GO:0030288 outer membrane-bounded periplasmic space
• GO:0042597 periplasmic space

External links

• PDB: RCSB:3sxq, PDBe:3sxq, PDBj:3sxq
• PDBsum: 3sxq
• PubMed: 22935005
• UniProt: E7EDQ7