3U4H
CD38 structure-based inhibitor design using the N1-cyclic inosine 5'-diphosphate ribose template
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE C8R A 401 |
| Chain | Residue |
| A | LEU124 |
| A | SER220 |
| A | THR221 |
| A | PHE222 |
| A | GLU226 |
| A | HOH503 |
| A | HOH515 |
| A | HOH519 |
| A | HOH533 |
| A | HOH535 |
| A | HOH541 |
| A | TRP125 |
| A | HOH557 |
| A | HOH564 |
| A | HOH603 |
| A | SER126 |
| A | ARG127 |
| A | LEU145 |
| A | GLU146 |
| A | ASP155 |
| A | TRP189 |
| A | SER193 |
| site_id | AC2 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE C8R B 401 |
| Chain | Residue |
| B | LEU124 |
| B | TRP125 |
| B | SER126 |
| B | ARG127 |
| B | LEU145 |
| B | GLU146 |
| B | ASP155 |
| B | TRP189 |
| B | SER193 |
| B | SER220 |
| B | THR221 |
| B | PHE222 |
| B | GLU226 |
| B | HOH516 |
| B | HOH529 |
| B | HOH533 |
| B | HOH543 |
| B | HOH553 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | Active site: {"evidences":[{"source":"PubMed","id":"7961800","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | Glycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"source":"PubMed","id":"19159218","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Glycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | Glycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"source":"PubMed","id":"19159218","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19349973","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
