3ONI
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor JQ1
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE JQ1 A 1 |
| Chain | Residue |
| A | HOH4 |
| A | HOH146 |
| A | TRP370 |
| A | PRO371 |
| A | VAL376 |
| A | ASN429 |
| A | HIS433 |
| A | VAL435 |
| site_id | AC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE NI A 456 |
| Chain | Residue |
| A | ARG419 |
| A | ARG419 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE NI A 2 |
| Chain | Residue |
| A | HOH131 |
| A | LYS364 |
| A | TYR368 |
| A | ARG406 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 457 |
| Chain | Residue |
| A | HOH38 |
| A | TYR368 |
| A | LYS402 |
| A | ASP407 |
| A | LYS441 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO A 458 |
| Chain | Residue |
| A | HOH91 |
| A | TYR426 |
| A | ARG440 |
| A | GLN443 |
| A | GLN443 |
| A | ASP444 |
| A | GLU447 |
Functional Information from PROSITE/UniProt
| site_id | PS00633 |
| Number of Residues | 60 |
| Details | BROMODOMAIN_1 Bromodomain signature. AwpFykpvDasalglhDYHdiIkhpMdlstVkrkmenrd..Yrdaqefaadvrl.MfsNCykY |
| Chain | Residue | Details |
| A | ALA369-TYR428 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:19690332, ECO:0007744|PubMed:20068231, ECO:0007744|PubMed:21406692, ECO:0007744|PubMed:23186163, ECO:0007744|PubMed:24275569 |
| Chain | Residue | Details |
| A | VAL418 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:19690332, ECO:0007744|PubMed:20068231, ECO:0007744|PubMed:24275569 |
| Chain | Residue | Details |
| A | MET421 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:24275569 |
| Chain | Residue | Details |
| A | CYS425 |
