4UQL
High-resolution structure of a Ni-A Ni-Sox mixture of the D. fructosovorans NiFe-hydrogenase L122A mutant
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) | HYDROGENASE (NIFE) SMALL SUBUNIT HYDA | polymer | 265 | 28418.4 | 2 | UniProt (E1K248) Pfam (PF01058) Pfam (PF14720) UniProt (by SIFTS) (P18187) | DESULFOVIBRIO FRUCTOSOVORANS | NIFE-HYDROGENASE SMALL SUBUNIT |
| 2 | C, D (Q, R) | NICKEL-DEPENDENT HYDROGENASE LARGE SUBUNIT | polymer | 563 | 61190.8 | 2 | UniProt (E1K247) Pfam (PF00374) UniProt (by SIFTS) (P18188) | DESULFOVIBRIO FRUCTOSOVORANS | NIFE-HYDROGENASE LARGE SUBUNIT |
| 3 | E, G, K, M (A, B) | IRON/SULFUR CLUSTER | non-polymer | 351.6 | 4 | Chemie (SF4) | |||
| 4 | F, L (A, B) | FE3-S4 CLUSTER | non-polymer | 295.8 | 2 | Chemie (F3S) | |||
| 5 | CA, DA, EA, FA, GA... (R, A, B, Q) | GLYCEROL | non-polymer | 92.1 | 11 | Chemie (GOL) | |||
| 6 | J, S, Y (B, Q, R) | GLYCINE | non-polymer | 75.1 | 3 | Chemie (GLY) | |||
| 7 | N (B) | morpholine-4-sulfonic acid | non-polymer | 167.2 | 1 | Chemie (SOT) | |||
| 8 | Q (B) | HYDROSULFURIC ACID | non-polymer | 34.1 | 1 | Chemie (H2S) | |||
| 9 | T, Z (Q, R) | CARBONMONOXIDE-(DICYANO) IRON | non-polymer | 135.9 | 2 | Chemie (FCO) | |||
| 10 | AA, U (R, Q) | NICKEL (II) ION | non-polymer | 58.7 | 2 | Chemie (NI) | |||
| 11 | BA, V (R, Q) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 12 | X (Q) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 13 | HA, IA, JA, KA (A, B, Q, R) | water | water | 18.0 | 1752 | Chemie (HOH) |
Sequence modifications
Q, R: 2 - 549 (UniProt: E1K247)
| 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 | 29 |
| Total formula weight | 3910.9 | |
| All* | Total formula weight | 183129.2 |
