Structure of PDB 6f2p Chain A Binding Site BS03

Receptor Information
>6f2p Chain A (length=1040) Species: 44249 (Paenibacillus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PRADEFDTLREKYKAMLNGGTTYNLSDPDIAARVNAITVTAQGYWDSMLK
DPNRNRLWNDAPFGSDSTSITTTYRHLYDMALAYTTYGSSLQGNAALKAD
IISGLDWMNANQFYNGCSQYQNWWHWQIGGPMALNDIVALMYTELTATQI
SNYMAAIYYTQASVTMTGANRLWESQVIAISGILNKDSARVAAGRDGISA
LLPYVAKGDGFYNDGSFVQHTYYAYNGGYGSELLSGIADLIFILNGSSWQ
VTDPNKNNVYRWIYDSYEPFIYKGNLMDMVRGREISRHGLQDDKAAVTVM
ASIIRLSQTAASADATAFKRMVKYWLLLDTDKTFLKAVSIDLIIAANQLV
NDSTVTSRGELVKYKQFSGMDRAVQLRPGFGFGLSMFSSRIGNYESINAE
NNKGWHTGDGMTYLYNTDLSQFNDHFWATVDNYRLPGTTVLQNTTQTANS
RSDKSWAGGTDILGQYGVSGMELHTVGKSLTAKKSWFMFDDEIVALGSGI
ASTDGIATETIVENRKLNSSGNNALIVNGTAKPGSLGWSETMTGTNYIHL
AGSVPGSDIGYYFPGGAAVKGLREARSGSWSSLNSSASWKDSTLHTRNFM
TLWFDHGMNPTNGSYSYVLLPNKTSSAVASYAATPQISILENSSSAQAVK
ETQLNVTGINFWNDEPTTVGLVTSNRKASVMTKETASDFEISVSDPTQSN
VGTIYIDVNKSATGLISKDNEITVIQYYPTMKFKVNVNNSGGKSYKVKFS
LTGTPGSNPSPIPIPNPYEAEALPINALTDTPVVYNDANASGGKKLGFNN
NAVDDYVEFSLDVTQPGTYDVKSRIMKSTNSGIYQLSINGTNVGSAQDMF
WTTSELSKEFTMGSYSFTSPGSYLFRLKTTGKNVSSSGYKLMLDNFSLVS
TGIDTTVIVDNADAAGVTKVGTWTGTNTQTDRYGADYIHDGNTGKGTKSV
TFTPNVPISGTYQVYMMWAAHTNRATNVPVDVTHSGGTATLNVNQQGNGG
VWNLLGTYSFNAGSTGAIKIRTDATNGYVVADAVKLVKVP
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 chain6f2p Chain A Residue 1103 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6f2p Structure and Dynamics of a Promiscuous Xanthan Lyase from Paenibacillus nanensis and the Design of Variants with Increased Stability and Activity.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		D780 N801 D805
Binding residue
(residue number reindexed from 1)		D780 N801 D805
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) N170 H220 Y229 R283 E395
Catalytic site (residue number reindexed from 1) N170 H220 Y229 R283 E395
Enzyme Commision number 4.2.2.12: xanthan lyase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016829 lyase activity
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding
GO:0047492 xanthan lyase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0009056 catabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6f2p, PDBe:6f2p, PDBj:6f2p
PDBsum6f2p
PubMed30503284
UniProtA0A493R6T1

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