4UQP
High-resolution structure of the D. fructosovorans NiFe-hydrogenase L122A mutant after exposure to air
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | PERIPLASMIC [NIFE] HYDROGENASE SMALL SUBUNIT | polymer | 265 | 28418.4 | 2 | UniProt (P18187) Pfam (PF01058) Pfam (PF14720) | DESULFOVIBRIO FRUCTOSOVORANS | NIFE-HYDROGENASE SMALL SUBUNIT, NIFE HYDROGENLYASE SMALL CHAIN |
| 2 | C, D (Q, R) | PERIPLASMIC [NIFE] HYDROGENASE LARGE SUBUNIT | polymer | 563 | 61190.8 | 2 | UniProt (P18188) Pfam (PF00374) | DESULFOVIBRIO FRUCTOSOVORANS | 1NIFE-HYDROGENASE LARGE SUBUNIT, NIFE HYDROGENLYASE LARGE CHAIN |
| 3 | E, G, I, K (A, B) | IRON/SULFUR CLUSTER | non-polymer | 351.6 | 4 | Chemie (SF4) | |||
| 4 | F, J (A, B) | FE3-S4 CLUSTER | non-polymer | 295.8 | 2 | Chemie (F3S) | |||
| 5 | H, N, O, T, U... (A, Q, R) | GLYCEROL | non-polymer | 92.1 | 8 | Chemie (GOL) | |||
| 6 | L (B) | morpholine-4-sulfonic acid | non-polymer | 167.2 | 1 | Chemie (SOT) | |||
| 7 | M (B) | HYDROSULFURIC ACID | non-polymer | 34.1 | 1 | Chemie (H2S) | |||
| 8 | P, Y (Q, R) | CARBONMONOXIDE-(DICYANO) IRON | non-polymer | 135.9 | 2 | Chemie (FCO) | |||
| 9 | Q, Z (Q, R) | NICKEL (II) ION | non-polymer | 58.7 | 2 | Chemie (NI) | |||
| 10 | AA, R (R, Q) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 11 | BA, S (R, Q) | GLYCINE | non-polymer | 75.1 | 2 | Chemie (GLY) | |||
| 12 | CA, DA, EA, FA (A, B, Q, R) | water | water | 18.0 | 1688 | Chemie (HOH) |
Sequence modifications
Q, R: 2 - 549 (UniProt: P18188)
| PDB | External Database | Details |
|---|---|---|
| Ala -13 | - | expression tag |
| Ser -12 | - | expression tag |
| Trp -11 | - | expression tag |
| Ser -10 | - | expression tag |
| His -9 | - | expression tag |
| Pro -8 | - | expression tag |
| Gln -7 | - | expression tag |
| Phe -6 | - | expression tag |
| Glu -5 | - | expression tag |
| Lys -4 | - | expression tag |
| Gly -3 | - | expression tag |
| Ala -2 | - | expression tag |
| Ser -1 | - | expression tag |
| Gly 0 | - | expression tag |
| Ala 1 | - | expression tag |
| Ala 122 | Leu 122 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 179218.3 | |
| Non-Polymers* | Number of molecules | 24 |
| Total formula weight | 3524.1 | |
| All* | Total formula weight | 182742.4 |
