4OB1
Crystal Structure of Nitrile Hydratase from Pseudonocardia thermophila bound to Butaneboronic Acid via Co-crystallization
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | Cobalt-containing nitrile hydratase subunit alpha | polymer | 290 | 33060.9 | 1 | UniProt (Q7SID2) Pfam (PF02979) In PDB | Pseudonocardia thermophila | L-NHase, L-nitrilase |
2 | B | Cobalt-containing nitrile hydratase subunit beta | polymer | 233 | 26583.6 | 1 | UniProt (Q7SID3) Pfam (PF21006) Pfam (PF02211) In PDB | Pseudonocardia thermophila | L-NHase, L-nitrilase |
3 | A | COBALT (II) ION | non-polymer | 58.9 | 1 | Chemie (CO) | |||
4 | A | 1-BUTANE BORONIC ACID | non-polymer | 101.9 | 1 | Chemie (BUB) | |||
5 | water | water | 18.0 | 748 | Chemie (HOH) |
Sequence modifications
A: 1 - 204 (UniProt: Q7SID2)
PDB | External Database | Details |
---|---|---|
Met -79 | - | initiating methionine |
Thr -78 | - | expression tag |
Glu -77 | - | expression tag |
Asn -76 | - | expression tag |
Ile -75 | - | expression tag |
Leu -74 | - | expression tag |
Arg -73 | - | expression tag |
Lys -72 | - | expression tag |
Ser -71 | - | expression tag |
Asp -70 | - | expression tag |
Glu -69 | - | expression tag |
Glu -68 | - | expression tag |
Ile -67 | - | expression tag |
Gln -66 | - | expression tag |
Lys -65 | - | expression tag |
Glu -64 | - | expression tag |
Ile -63 | - | expression tag |
Thr -62 | - | expression tag |
Ala -61 | - | expression tag |
Arg -60 | - | expression tag |
Val -59 | - | expression tag |
Lys -58 | - | expression tag |
Ala -57 | - | expression tag |
Leu -56 | - | expression tag |
Glu -55 | - | expression tag |
Ser -54 | - | expression tag |
Met -53 | - | expression tag |
Leu -52 | - | expression tag |
Ile -51 | - | expression tag |
Glu -50 | - | expression tag |
Gln -49 | - | expression tag |
Gly -48 | - | expression tag |
Ile -47 | - | expression tag |
Leu -46 | - | expression tag |
Thr -45 | - | expression tag |
Thr -44 | - | expression tag |
Ser -43 | - | expression tag |
Met -42 | - | expression tag |
Ile -41 | - | expression tag |
Asp -40 | - | expression tag |
Arg -39 | - | expression tag |
Met -38 | - | expression tag |
Ala -37 | - | expression tag |
Glu -36 | - | expression tag |
Ile -35 | - | expression tag |
Tyr -34 | - | expression tag |
Glu -33 | - | expression tag |
Asn -32 | - | expression tag |
Glu -31 | - | expression tag |
Val -30 | - | expression tag |
Gly -29 | - | expression tag |
Pro -28 | - | expression tag |
His -27 | - | expression tag |
Leu -26 | - | expression tag |
Gly -25 | - | expression tag |
Ala -24 | - | expression tag |
Lys -23 | - | expression tag |
Val -22 | - | expression tag |
Val -21 | - | expression tag |
Val -20 | - | expression tag |
Lys -19 | - | expression tag |
Ala -18 | - | expression tag |
Trp -17 | - | expression tag |
Thr -16 | - | expression tag |
Asp -15 | - | expression tag |
Pro -14 | - | expression tag |
Glu -13 | - | expression tag |
Phe -12 | - | expression tag |
Lys -11 | - | expression tag |
Lys -10 | - | expression tag |
Arg -9 | - | expression tag |
Leu -8 | - | expression tag |
Leu -7 | - | expression tag |
Ala -6 | - | expression tag |
Asp -5 | - | expression tag |
Gly -4 | - | expression tag |
Thr -3 | - | expression tag |
Glu -2 | - | expression tag |
Ala -1 | - | expression tag |
Cys 0 | - | expression tag |
His 205 | - | expression tag |
His 206 | - | expression tag |
His 207 | - | expression tag |
His 208 | - | expression tag |
His 209 | - | expression tag |
His 210 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 59644.5 | |
Non-Polymers* | Number of molecules | 2 |
Total formula weight | 160.9 | |
All* | Total formula weight | 59805.4 |