4CDL
Crystal Structure of Retro-aldolase RA110.4-6 Complexed with Inhibitor 1-(6-methoxy-2-naphthalenyl)-1,3-butanedione
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | STEROID DELTA-ISOMERASE | polymer | 141 | 16157.3 | 1 | UniProt (P07445) Pfam (PF12680) In PDB | PSEUDOMONAS PUTIDA | RA110.4-6, DELTA(5)-3-KETOSTEROID ISOMERASE |
2 | A | (2E)-1-(6-methoxynaphthalen-2-yl)but-2-en-1-one | non-polymer | 226.3 | 1 | Chemie (LLK) | |||
3 | water | water | 18.0 | 37 | Chemie (HOH) |
Sequence modifications
A: 1 - 131 (UniProt: P07445)
PDB | External Database | Details |
---|---|---|
Gly 132 | - | expression tag |
Ser 133 | - | expression tag |
Leu 134 | - | expression tag |
Glu 135 | - | expression tag |
His 136 | - | expression tag |
His 137 | - | expression tag |
His 138 | - | expression tag |
His 139 | - | expression tag |
His 140 | - | expression tag |
His 141 | - | expression tag |
Phe 16 | Tyr 16 | conflict |
Ile 38 | Val 38 | engineered mutation |
Ser 40 | Asp 40 | conflict |
His 56 | Phe 56 | engineered mutation |
Lys 59 | Gln 59 | engineered mutation |
Trp 60 | Gly 60 | engineered mutation |
Leu 66 | Val 66 | engineered mutation |
Val 68 | Ala 68 | conflict |
Tyr 69 | Cys 69 | engineered mutation |
Asn 77 | Ser 77 | engineered mutation |
Thr 83 | Ala 83 | engineered mutation |
Leu 85 | Pro 85 | engineered mutation |
Leu 86 | Phe 86 | engineered mutation |
Lys 88 | Val 88 | engineered mutation |
Trp 90 | Met 90 | engineered mutation |
Thr 99 | Leu 99 | engineered mutation |
Leu 103 | Asp 103 | engineered mutation |
Gln 110 | His 110 | engineered mutation |
Glu 116 | Met 116 | engineered mutation |
Arg 118 | Ala 118 | engineered mutation |
Cys 126 | Ser 126 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 16157.3 | |
Non-Polymers* | Number of molecules | 1 |
Total formula weight | 226.3 | |
All* | Total formula weight | 16383.6 |