Structure of PDB 8an3 Chain AAA Binding Site BS01

Receptor Information

>8an3 Chain AAA (length=1040) Species: 330779 (Sulfolobus acidocaldarius DSM 639) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

LTPPVSAGGIQAYLLTGSGAPASGLVLFVVNVSNIQVSSSNVTNVISTVV
SNIQINAKTENAQTGATTGSVTVRFPTSGYNAYYDSVDKVVFVVVSFLYP
YTTTSVNIPLSYLSKYLPGLLTAQPYDETGAQVTSVSSTPFGSLIDTSTG
QQILGTNPVLTSYNSYTTQANTNMQEGVVSGTLTSFTLGGQSFSGSTVPV
ILYAPFIFSNSPYQAGLYNPMQVNGNLGSLSSEAYYHPVIWGRALINTTL
IDTYASGSVPFTFQLNYSVPGPLTINMAQLAWIASINNLPTSFTYLSYKF
SNGYESFLGIISNSTQLTAGALTINPSGNFTINGKKFYVYLLVVGSTNST
TPVEYVTKLVVEYPSSTNFLPQGVTVTTSSNKYTLPVYEIGGPAGTTITL
TGNWYSTPYTVQITVGSTPTLTNYVSQILLKAVAYEGINVSTTQSPYYST
AILSTPPSEISITGSSTITAQGKLTATSASATVNLLTNATLTYENIPLTQ
YSFNGIIVTPGYAAINGTTAMAYVIGALYNKTSDYVLSFAGSQEPMQVMN
NNLTEVTTLAPFGLTLLAPSVPATETGTSPLQLEFFTVPSTSYIALVDFG
LWGNLTSVTVSAYDTVNNKLSVNLGYFYGIVIPPSISTAPYNYQNFICPN
NYVTVTIYDPDAVLDPYPSGSFTTSSLPLKYGNMNITGAVIFPGSSVYNP
SGVFGYSNFNKGAAVTTFTYTAQSGPFSPVALTGNTNYLSQYADNNPTDN
YYFIQTVNGMPVLMGGLSIVASPVSASLPSSTSSPGFMYLLPSAAQVPSP
LPGMATPNYNLNIYITYKIDGATVGNNMINGLYVASQNTLIYVVPNGSFV
GSNIKLTYTTTDYAVLHYFYSTGQYKVFKTVSVPNVTANLYFPSSTTPLY
QLSVPLYLSEPYYGSPLPTYIGLGTNGTSLWNSPNYVLFGVSAVQQYLGF
IKSISVTLSNGTTVVIPLTTSNMQTLFPQLVGQELQACNGTFQFGISITG
LEKLLNLNVQQLNNSILSVTYHDYVTGETLTATTKLVALS

Ligand information

Ligand ID

YZT

InChI

InChI=1S/C6H12O8S/c7-3-2(1-15(11,12)13)14-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5-,6-/m1/s1

InChIKey

QFBWOLBPVQLZEH-VFUOTHLCSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.6	C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)S(=O)(=O)O
OpenEye OEToolkits 1.7.6	C(C1C(C(C(C(O1)O)O)O)O)S(=O)(=O)O
ACDLabs 12.01	O=S(=O)(O)CC1OC(O)C(O)C(O)C1O
CACTVS 3.370	O[CH]1O[CH](C[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O
CACTVS 3.370	O[C@@H]1O[C@H](C[S](O)(=O)=O)[C@@H](O)[C@H](O)[C@H]1O

Formula

C6 H12 O8 S

Name

6-deoxy-6-sulfo-beta-D-glucopyranose

ChEMBL

DrugBank

ZINC

PDB chain

8an3 Chain B Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8an3 Structure of the S. acidocaldarius S-layer protein SlaA at pH 7.
Resolution	3.9 Å
Binding residue (original residue number in PDB)	P722 G723
Binding residue (residue number reindexed from 1)	P693 G694
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:8an3, PDBe:8an3, PDBj:8an3
PDBsum	8an3
PubMed	38251732
UniProt	Q4J6E5\|SLAA_SULAC S-layer protein A (Gene Name=slaA)

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