Structure of PDB 2zxq Chain A Binding Site BS01

Receptor Information
>2zxq Chain A (length=1178) Species: 216816 (Bifidobacterium longum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASETLKTKKMEVQIKKNFPSVLQYTMTDGKVMYGQSKDVRTVEINGTNIE
LGDDDVTFKKVSDTEATYTLKVKDEAKKIDAVITVQITVKANQLHLNVTK
IKNNLSEGIPEGNGVEENAIQTLSFPNQSLVSVRSSQENAQFTGARMSSN
TQKPGDTNFAVTEDTNVTDSDYTYGFISGAGLSAGLWSNSEHDGTYVAAP
VRGGSQNTRVYATTQQTGDATSLGLASAPWYYHRTVTDSKGKKYTVAETA
LPQMAVAIAGDENEDGAVNWQDGAIAYRDIMNNPYKSEEVPELVAWRIAM
NFGSQAQNPFLTTLDNVKKVALNTDGLGQSVLLKGYGNEGHDSGHPDYGD
IGQRLGGADDMNTMMEEGSKYGARFGVHVNASEMYPEAKAFSEDMVRRNS
AGGLSYGWNWLDQGVGIDGIYDLASGSRVSRFADLSKEVGDNMDFIYLDV
WGNLTSSGSEDSWETRKMSKMINDNGWRMTTEWGSGNEYDSTFQHWAADL
TYGGYTSKGENSEVMRFLRNHQKDSWVGDYPQYGGAANAPLLGGYNMKDF
EGWQGRNDYAAYIKNLYTHDVSTKFIQHFKVTRWVNNPLLTADNGNAAAV
SDPNTNNGNEQITLKDSNGNVVVVSRGSNDTSSAAYRQRTITFNGVKVAS
GVVSAGDGSATGDESYLLPWMWDSFTGKLVKDSEQKLYHWNTKGGTTTWT
LPDSWKNLSSVKVYQLTDQGKTNEQTVAVSGGKVTLTADAETPYVVYKGE
AKQIQVNWSEGMHVVDAGFNGGSNTLTDNWTVSGSGKAEVEGDNNAMLRL
TGKVDVSQRLTDLKAGQKYALYVGVDNRSTGDASVTVTSGGKVLATNSTG
KSIAKNYIKAYGHNTNSNTENGSSYFQNMYVFFTAPENGDATVTLSHKST
DGAHTYFDDVRIVENQYSGITYEKDGTLKSLTNGFENNAQGIWPFVVSGS
EGVEDNRIHLSELHAPFTRAGWDVKKMDDVLDGTWSVKVNGLTQKGTLVY
QTIPQNVKFEAGAKYKVSFDYQSGSDDIYAIAVGQGEYSAGSVKLTNLKK
ALGETGKAEFELTGGVNGDSWFGIYSTATAPDLQGSTGNAQDFGGYKDFV
LDNLKIERIESQTRTKAEAQDKVKEIRGKYDSKRAWQQYQDTLVKARVLI
NKNGATAEDFTKAYDILVALDEYMKTAP
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain2zxq Chain A Residue 1 [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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PDB2zxq Crystallographic and mutational analyses of substrate recognition of endo-{alpha}-N-acetylgalactosaminidase from Bifidobacterium longum.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D601 N603 D605 A607 D612
Binding residue
(residue number reindexed from 1)		D261 N263 D265 A267 D272
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.97: endo-alpha-N-acetylgalactosaminidase.
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
GO:0033926 endo-alpha-N-acetylgalactosaminidase activity

View graph for
Molecular Function
External links
PDB RCSB:2zxq, PDBe:2zxq, PDBj:2zxq
PDBsum2zxq
PubMed19502354
UniProtQ3T552

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