Structure of PDB 1n9e Chain D Binding Site BS02

Receptor Information
>1n9e Chain D (length=735) Species: 4922 (Komagataella pastoris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASAECVSNENVEIEAPKTNIWTSLAKEEVQEVLDLLHSTYNITEVTKADF
FSNYVLWIETLKPNKTEALTYLDEDGDLPPRNARTVVYFGEGEEGYFEEL
KVGPLPVSDETTIEPLSFYNTNGKSKLPFEVGHLDRIKSAAKSSFLNKNL
NTTIMRDVLEGLIGVPYEDMGCHSAAPQLHDPATGATVDYGTCNINTEND
AENLVPTGFFFKFDMTGRDVSQWKMLEYIYNNKVYTSAEELYEAMQKDDF
VTLPKIDVDNLDWTVIQRNDSAPIRHLDDRKSPRLVEPEGRRWAYDGEEE
YFSWMDWGFYTSWSRDTGISFYDITFKGERIVYELSLQELIAEYGSDDPF
NQHTFYSDISYGVGNRFSLVPGYDCPATAGYFTTDTFEYDEFYNRTLSYC
VFENQEDYSLLRHTGASYSAITQNPTLNVRFISTIGNYDYNFLYKFFLDG
TLEVSVRAAGYIQAGYWNPETSAPYGLKIHDVLSGSFHDHVLNYKVDLDV
GGTKNRASKYVMKDVDVEYPWAPGTVYNTKQIAREVLEKEDFNGINWPEN
GQGILLIESAEETNSFGNPRAYNIMPGGGGVHRIVKNSRSGPETQNWARS
NLFLTKHKDEELRSSTALNTNALYDPPVNFNAFLDDESLDGEDIVAWVNL
GLHHLPNSNDLPNTIFSTAHASFMLTPFNYFDSENSRDTTQQVFYTYDDE
TEESNWEFYGNDWSSCGLEVPEPNFEDYTYGRGTR
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 chain1n9e Chain D Residue 5802 [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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PDB1n9e The Crystal Structure of Pichia pastoris Lysyl Oxidase
Resolution1.65 Å
Binding residue
(original residue number in PDB)		D537 L538 D539 D683 I684
Binding residue
(residue number reindexed from 1)		D497 L498 D499 D643 I644
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y384 D398 Y478 H528 H530 H694
Catalytic site (residue number reindexed from 1) Y344 D358 Y438 H488 H490 H654
Enzyme Commision number 1.4.3.-
Gene Ontology
Molecular Function
GO:0005507 copper ion binding
GO:0008131 primary methylamine oxidase activity
GO:0048038 quinone binding
Biological Process
GO:0009308 amine metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1n9e, PDBe:1n9e, PDBj:1n9e
PDBsum1n9e
PubMed14690425
UniProtQ96X16

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