Structure of PDB 3la4 Chain A Binding Site BS01

Receptor Information
>3la4 Chain A (length=837) Species: 3823 (Canavalia ensiformis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKLSPREVEKLGLHNAGYLAQKRLARGVRLNYTEAVALIASQIMEYARDG
EKTVAQLMCLGQHLLGRRQVLPAVPHLLNAVQVEATFPDGTKLVTVHDPI
SRENGELQEALFGSLLPVPSLDKFAEDNRIPGEILCEDECLTLNIGRKAV
ILKVTSKGDRPIQVGSHYHFIEVNPYLTFDRRKAYGMRLNIAAGTAVRFE
PGDCKSVTLVSIEGNKVIRGGNAIADGPVNETNLEAAMHAVRSKGFGHEE
EKDASEGFTKEDPNCPFNTFIHRKEYANKYGPTTGDKIRLGDTNLLAEIE
KDYALYGDECVFGGGKVIRDGMGQSCGHPPAISLDTVITNAVIIDYTGII
KADIGIKDGLIASIGKAGNPDIMNGVFSNMIIGANTEVIAGEGLIVTAGA
IDCHVHYICPQLVYEAISSGITTLVGGGTGPAAGTRATTCTPSPTQMRLM
LQSTDDLPLNFGFTGKGSSSKPDELHEIIKAGAMGLKLHEDWGSTPAAID
NCLTIAEHHDIQINIHTDTLNEAGFVEHSIAAFKGRTIHTYHSEGAGGGH
APDIIKVCGIKNVLPSSTNPTRPLTSNTIDEHLDMLMVCHHLDREIPEDL
AFAHSRIRKKTIAAEDVLNDIGAISIISSDSQAMGRVGEVISRTWQTADK
MKAQTGPLKCDSSDNDNFRIRRYIAKYTINPAIANGFSQYVGSVEVGKLA
DLVMWKPSFFGTKPEMVIKGGMVAWADIGDPNASIPTPEPVKMRPMYGTL
GKAGGALSIAFVSKAALDQRVNVLYGLNKRVEAVSNVRKLTKLDMKLNDA
LPEITVDPESYTVKADGKLLCVSEATTVPLSRNYFLF
Ligand information
Ligand IDNI
InChIInChI=1S/Ni/q+2
InChIKeyVEQPNABPJHWNSG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ni++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ni+2]
FormulaNi
NameNICKEL (II) ION
ChEMBL
DrugBankDB14204
ZINC
PDB chain3la4 Chain A Residue 841 [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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PDB3la4 Crystal structure of the first plant urease from jack bean: 83 years of journey from its first crystal to molecular structure
Resolution2.05 Å
Binding residue
(original residue number in PDB)		H407 H409 K490 D633
Binding residue
(residue number reindexed from 1)		H404 H406 K487 D630
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H407 H409 K490 H492 D494 H519 H545 H593 R609 D633
Catalytic site (residue number reindexed from 1) H404 H406 K487 H489 D491 H516 H542 H590 R606 D630
Enzyme Commision number 3.5.1.5: urease.
Gene Ontology
Molecular Function
GO:0009039 urease activity
GO:0016151 nickel cation binding
GO:0016787 hydrolase activity
GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
GO:0046872 metal ion binding
GO:0090729 toxin activity
Biological Process
GO:0035821 modulation of process of another organism
GO:0043419 urea catabolic process
Cellular Component
GO:0035550 urease complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3la4, PDBe:3la4, PDBj:3la4
PDBsum3la4
PubMed20471401
UniProtP07374|UREA_CANEN Urease

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