6U9M
MLL1 SET N3861I/Q3867L bound to inhibitor 16 (TC-5109)
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | binding site for residue ZN A 4001 |
| Chain | Residue |
| A | CYS3909 |
| A | CYS3957 |
| A | CYS3959 |
| A | CYS3964 |
| site_id | AC2 |
| Number of Residues | 14 |
| Details | binding site for residue Q2M A 4002 |
| Chain | Residue |
| A | PHE3904 |
| A | ASN3906 |
| A | HIS3907 |
| A | TYR3944 |
| A | PRO3956 |
| A | CYS3957 |
| A | ASN3958 |
| A | HOH4111 |
| A | HOH4136 |
| A | ILE3838 |
| A | HIS3839 |
| A | ARG3841 |
| A | CYS3882 |
| A | TYR3883 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | binding site for residue ZN B 4001 |
| Chain | Residue |
| B | CYS3909 |
| B | CYS3957 |
| B | CYS3959 |
| B | CYS3964 |
| site_id | AC4 |
| Number of Residues | 10 |
| Details | binding site for residue GOL B 4002 |
| Chain | Residue |
| A | GLY3937 |
| A | HOH4108 |
| A | HOH4110 |
| B | MET3816 |
| B | ARG3819 |
| B | LYS3870 |
| B | LYS3873 |
| B | ARG3916 |
| B | HOH4103 |
| B | HOH4123 |
| site_id | AC5 |
| Number of Residues | 18 |
| Details | binding site for residue Q2M B 4003 |
| Chain | Residue |
| B | ILE3838 |
| B | HIS3839 |
| B | GLY3840 |
| B | ARG3841 |
| B | CYS3882 |
| B | TYR3883 |
| B | PHE3904 |
| B | ASN3906 |
| B | HIS3907 |
| B | TYR3944 |
| B | PRO3956 |
| B | CYS3957 |
| B | ASN3958 |
| B | LEU3968 |
| B | HOH4106 |
| B | HOH4127 |
| B | HOH4148 |
| B | HOH4172 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 6 |
| Details | BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00190, ECO:0000269|PubMed:19187761, ECO:0000269|PubMed:26886794, ECO:0007744|PDB:2W5Y, ECO:0007744|PDB:5F5E, ECO:0007744|PDB:5F6L |
| Chain | Residue | Details |
| A | HIS3839 | |
| A | ARG3841 | |
| A | ASN3958 | |
| B | HIS3839 | |
| B | ARG3841 | |
| B | ASN3958 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00190, ECO:0000269|PubMed:19187761, ECO:0000269|PubMed:26886794, ECO:0007744|PDB:2W5Z, ECO:0007744|PDB:5F5E |
| Chain | Residue | Details |
| A | TYR3883 | |
| B | TYR3883 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:19187761, ECO:0000269|PubMed:26886794, ECO:0007744|PDB:2W5Y, ECO:0007744|PDB:5F5E, ECO:0007744|PDB:5F6L |
| Chain | Residue | Details |
| A | ASN3906 | |
| B | ASN3906 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 6 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:16990798, ECO:0000269|PubMed:19187761, ECO:0007744|PDB:2W5Y, ECO:0007744|PDB:2W5Z, ECO:0007744|PDB:5F5E, ECO:0007744|PDB:5F6L |
| Chain | Residue | Details |
| A | CYS3959 | |
| B | CYS3909 | |
| B | CYS3957 | |
| B | CYS3959 | |
| A | CYS3909 | |
| A | CYS3957 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:16990798, ECO:0000269|PubMed:19187761, ECO:0007744|PDB:2W5Y, ECO:0007744|PDB:2W5Z, ECO:0007744|PDB:5F6L |
| Chain | Residue | Details |
| A | CYS3964 | |
| B | CYS3964 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 2 |
| Details | MOD_RES: S-methylcysteine; by autocatalysis => ECO:0000269|PubMed:24235145 |
| Chain | Residue | Details |
| A | CYS3882 | |
| B | CYS3882 |
