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3U4H

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

Functional Information from GO Data
ChainGOidnamespacecontents
A0061809molecular_functionNAD+ nucleotidase, cyclic ADP-ribose generating
B0061809molecular_functionNAD+ nucleotidase, cyclic ADP-ribose generating
Functional Information from PDB Data
site_idAC1
Number of Residues22
DetailsBINDING SITE FOR RESIDUE C8R A 401
ChainResidue
ALEU124
ASER220
ATHR221
APHE222
AGLU226
AHOH503
AHOH515
AHOH519
AHOH533
AHOH535
AHOH541
ATRP125
AHOH557
AHOH564
AHOH603
ASER126
AARG127
ALEU145
AGLU146
AASP155
ATRP189
ASER193

site_idAC2
Number of Residues18
DetailsBINDING SITE FOR RESIDUE C8R B 401
ChainResidue
BLEU124
BTRP125
BSER126
BARG127
BLEU145
BGLU146
BASP155
BTRP189
BSER193
BSER220
BTHR221
BPHE222
BGLU226
BHOH516
BHOH529
BHOH533
BHOH543
BHOH553

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: ACT_SITE => ECO:0000305|PubMed:7961800
ChainResidueDetails
ACYS119
ACYS201
BCYS119
BCYS201

site_idSWS_FT_FI2
Number of Residues4
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:19159218
ChainResidueDetails
AASP100
AASP209
BASP100
BASP209

site_idSWS_FT_FI3
Number of Residues2
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255
ChainResidueDetails
AASP164
BASP164

site_idSWS_FT_FI4
Number of Residues2
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:19159218, ECO:0000269|PubMed:19349973
ChainResidueDetails
AASP219
BASP219

218500

PDB entries from 2024-04-17

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