3U4I

CD38 structure-based inhibitor design using the N1-cyclic inosine 5'-diphosphate ribose template

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0061809	molecular_function	NAD+ nucleotidase, cyclic ADP-ribose generating
B	0061809	molecular_function	NAD+ nucleotidase, cyclic ADP-ribose generating

Functional Information from PDB Data

site_id	AC1
Number of Residues	17
Details	BINDING SITE FOR RESIDUE CVR A 401

Chain	Residue
A	LEU124
A	SER220
A	THR221
A	PHE222
A	GLU226
A	HOH503
A	HOH546
A	HOH547
A	HOH574
A	TRP125
A	SER126
A	ARG127
A	LEU145
A	GLU146
A	SER186
A	TRP189
A	SER193

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE: ACT_SITE => ECO:0000305|PubMed:7961800

Chain	Residue	Details
A	CYS119
A	CYS201
B	CYS119
B	CYS201

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site_id	SWS_FT_FI2
Number of Residues	4
Details	CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:19159218

Chain	Residue	Details
A	ASP100
A	ASP209
B	ASP100
B	ASP209

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site_id	SWS_FT_FI3
Number of Residues	2
Details	CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255

Chain	Residue	Details
A	ASP164
B	ASP164

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site_id	SWS_FT_FI4
Number of Residues	2
Details	CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:19159218, ECO:0000269|PubMed:19349973

Chain	Residue	Details
A	ASP219
B	ASP219

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