5V9T
Crystal structure of selective pyrrolidine amide KDM5a inhibitor N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide (compound 48)
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | binding site for residue NI A 901 |
| Chain | Residue |
| A | HIS483 |
| A | GLU485 |
| A | HIS571 |
| A | 90V904 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | binding site for residue ZN A 902 |
| Chain | Residue |
| A | CYS676 |
| A | CYS679 |
| A | CYS699 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | binding site for residue ZN A 903 |
| Chain | Residue |
| A | CYS692 |
| A | CYS709 |
| A | CYS690 |
| A | SER691 |
| site_id | AC4 |
| Number of Residues | 12 |
| Details | binding site for residue 90V A 904 |
| Chain | Residue |
| A | TYR472 |
| A | PHE480 |
| A | HIS483 |
| A | GLU485 |
| A | SER491 |
| A | ASN493 |
| A | LYS501 |
| A | HIS571 |
| A | ASN575 |
| A | VAL584 |
| A | ASN585 |
| A | NI901 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | binding site for residue NI B 901 |
| Chain | Residue |
| B | HIS483 |
| B | GLU485 |
| B | HIS571 |
| B | 90V904 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | binding site for residue ZN B 902 |
| Chain | Residue |
| B | CYS676 |
| B | CYS679 |
| B | CYS699 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | binding site for residue ZN B 903 |
| Chain | Residue |
| B | CYS690 |
| B | CYS692 |
| B | CYS709 |
| site_id | AC8 |
| Number of Residues | 11 |
| Details | binding site for residue 90V B 904 |
| Chain | Residue |
| B | PHE480 |
| B | HIS483 |
| B | GLU485 |
| B | SER491 |
| B | ASN493 |
| B | LYS501 |
| B | HIS571 |
| B | ASN575 |
| B | VAL584 |
| B | ASN585 |
| B | NI901 |
Functional Information from PROSITE/UniProt
| site_id | PS01359 |
| Number of Residues | 45 |
| Details | ZF_PHD_1 Zinc finger PHD-type signature. CmfCgrgnnedkl....................................LlCdg..Cdds.YHtfClipplpdvpkgd.................................WrCpkC |
| Chain | Residue | Details |
| A | CYS296-CYS340 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 82 |
| Details | Domain: {"description":"JmjN","evidences":[{"source":"PROSITE-ProRule","id":"PRU00537","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 180 |
| Details | Domain: {"description":"ARID","evidences":[{"source":"PROSITE-ProRule","id":"PRU00355","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 332 |
| Details | Domain: {"description":"JmjC","evidences":[{"source":"PROSITE-ProRule","id":"PRU00538","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 104 |
| Details | Zinc finger: {"description":"C5HC2","evidences":[{"source":"PubMed","id":"27214401","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27499454","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"5CEH","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 8 |
| Details | Motif: {"description":"GSGFP motif","evidences":[{"source":"UniProtKB","id":"Q3UXZ9","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 8 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"26645689","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27427228","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI7 |
| Number of Residues | 4 |
| Details | Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00538","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"26645689","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"27214401","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"27427228","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"27499454","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI8 |
| Number of Residues | 2 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"26645689","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"27214401","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"27427228","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"27499454","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI9 |
| Number of Residues | 1 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
