1CSS
ALPHA-FLUORO ACID AND ALPHA-FLUORO AMIDE ANALOGS OF ACETYL-COA AS INHIBITORS OF OF CITRATE SYNTHASE: EFFECT OF PKA MATCHING ON BINDING AFFINITY AND HYDROGEN BOND LENGTH
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | CITRATE SYNTHASE | polymer | 435 | 48174.9 | 1 | UniProt (P23007) Pfam (PF00285) In PDB | Gallus gallus (chicken) | |
| 2 | A | OXALOACETATE ION | non-polymer | 131.1 | 1 | Chemie (OAA) | |||
| 3 | A | ALPHA-FLUORO-CARBOXYMETHYLDETHIA COENZYME A COMPLEX | non-polymer | 811.5 | 1 | Chemie (FCX) | |||
| 4 | water | water | 18.0 | 145 | Chemie (HOH) |
Sequence modifications
A: 3 - 433 (UniProt: P23007)
| PDB | External Database | Details |
|---|---|---|
| Val 9 | Ile 36 | conflict |
| Ser 12 | Asp 39 | conflict |
| Ala 32 | Val 59 | conflict |
| Ser 41 | Met 68 | conflict |
| Ile 52 | Val 79 | conflict |
| Phe 69 | Tyr 96 | conflict |
| Leu 77 | Met 104 | conflict |
| Gly 82 | Lys 109 | conflict |
| Pro 104 | Glu 131 | conflict |
| Val 110 | Leu 137 | conflict |
| Asn 163 | His 190 | conflict |
| Phe 170 | Leu 197 | conflict |
| Val 171 | Ile 198 | conflict |
| Ala 175 | Cys 202 | conflict |
| Ala 196 | Glu 223 | conflict |
| Pro 222 | Ala 249 | conflict |
| Leu 283 | Val 310 | conflict |
| Ser 286 | Thr 313 | conflict |
| Asp 291 | Glu 318 | conflict |
| Leu 292 | Val 319 | conflict |
| Ala 294 | Lys 321 | conflict |
| Ala 296 | Val 323 | conflict |
| Ser 343 | His 370 | conflict |
| Ala 428 | Asp 455 | conflict |
| Glu 431 | Ile 458 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 48174.9 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 942.6 | |
| All* | Total formula weight | 49117.5 |
