3TC5
Selective targeting of disease-relevant protein binding domains by O-phosphorylated natural product derivatives
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | polymer | 166 | 18467.5 | 1 | UniProt (Q13526) Pfam (PF00397) Pfam (PF00639) | Homo sapiens (human) | Peptidyl-prolyl cis-trans isomerase Pin1, PPIase Pin1, Rotamase Pin1 |
| 2 | B (A) | (11alpha,16alpha)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate | non-polymer | 472.4 | 1 | Chemie (3T5) PubChem (16394623) PubChem (176479550) PubChem (9400) PubChem (16962) PubChem (195927) PubChem (23872191) PubChem (16757663) PubChem (24847912) PubChem (24867446) PubChem (25796883) PubChem (26604450) PubChem (40469520) PubChem (40469522) PubChem (40469524) PubChem (42609622) PubChem (23615598) PubChem (24212178) PubChem (45006166) PubChem (51546410) PubChem (1805663) PubChem (45357557) PubChem (53298744) PubChem (1549012) PubChem (3042840) PubChem (56842500) PubChem (3246329) PubChem (51546408) PubChem (59499748) PubChem (70233953) PubChem (73759767) PubChem (2367) PubChem (6602441) PubChem (6602501) PubChem (107782) PubChem (6713572) PubChem (7061360) PubChem (7061362) PubChem (7061364) PubChem (7061366) PubChem (3035459) PubChem (9871196) PubChem (12942027) PubChem (13670240) PubChem (99566480) PubChem (99566481) PubChem (6995146) PubChem (124303698) PubChem (124351996) PubChem (117072405) PubChem (133687681) PubChem (122130445) PubChem (124302935) PubChem (124900804) PubChem (124935009) PubChem (124935010) PubChem (125027659) PubChem (129280735) PubChem (14949370) PubChem (133612052) PubChem (162647379) PubChem (172012101) PubChem (172012119) PubChem (172872909) | |||
| 3 | C (A) | HEXAETHYLENE GLYCOL | non-polymer | 282.3 | 1 | Chemie (P6G) PubChem (17472) | |||
| 4 | D (A) | water | water | 18.0 | 266 | Chemie (HOH) |
Sequence modifications
A: 1 - 163 (UniProt: Q13526)
| PDB | External Database | Details |
|---|---|---|
| Gly -2 | - | expression tag |
| Ser -1 | - | expression tag |
| His 0 | - | expression tag |
| Ala 14 | Arg 14 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 18467.5 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 754.8 | |
| All* | Total formula weight | 19222.2 |
