Structure of PDB 7qcl Chain A Binding Site BS02

Receptor Information

>7qcl Chain A (length=546) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

PPECPDTWWLCDCFMATCKYNNTVEIVKVECEPPPMPTCSNGLQPVRVED
PDGCCWHWECDCYCTGWGDPHYVTFDGLYYSYQGNCTYVLVEEISPSVDN
FGVYIDNYHCDPNDKVSCPRTLIVRHETQEVLIKTVHMMPMQVQVQAVAL
PYKKYGLEVYQSGINYVVDIPELGVLVSYNGLSFSVRLPYHRFGNNTKGQ
CGTCTNTTSDDCILPSGEIVSNCEAAADQWLVNDPSKPHCPDCTPSPLCQ
LIKDSLFAQCHALVPPQHYYDACVFDSCFMPGSSLECASLQAYAALCAQQ
NICLDWRNHTHGACLVECPSHREYQACGPAEEPTCKSSSSQQNNTVLVEG
CFCPEGTMNYAPGFDVCVKTCGCVGPDNVPREFGEHFEFDCKNCVCLEGG
SGIICQPKRCSQKPVTHCVEDGTYLATEVNPADTCCNITVCKCNTSLCKE
KPSVCPLGFEVKSKMVPGRCCPFYWCESKGVCVHGNAEYQPGSPVYSSKC
QDCVCTDKVDNNTLLNVIACTHVPCNTSCSPGFELMEAPGECCKKC

Ligand information

Ligand ID

GAL

InChI

InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1

InChIKey

WQZGKKKJIJFFOK-FPRJBGLDSA-N

SMILES

Software	SMILES
CACTVS 3.370	OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.2	C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370	OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01	OC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.2	C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O

Formula

C6 H12 O6

Name

beta-D-galactopyranose;
beta-D-galactose;
D-galactose;
galactose

PDB chain

7qcl Chain K Residue 9 [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	7qcl The intestinal MUC2 mucin C-terminus is stabilized by an extra disulfide bond in comparison to von Willebrand factor and other gel-forming mucins.
Resolution	3.36 Å
Binding residue (original residue number in PDB)	P4402 P4405
Binding residue (residue number reindexed from 1)	P34 P37
Annotation score	4

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:7qcl, PDBe:7qcl, PDBj:7qcl
PDBsum	7qcl
PubMed	37031240
UniProt	Q02817\|MUC2_HUMAN Mucin-2 (Gene Name=MUC2)

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