MD6TK

Prompt

2.8.3.10

Transferases. Transferring sulfur-containing groups. CoA-transferases. citrate CoA-transferase.

AI Generated Sequence

450 AAs
MTDPLAGIRVLDLGHVLAGPYATQLLADFGADVIKVERPGKGDDTRAWGPERVDGVSAYFLAANRNKRSITLDLKDPEGRAVLLELAARADVLVENFRPGVLDRLGLDYATLAELNPLLIVASISGFGQEGPYARRAGYDLIAQAMSGLRHLTGEPGDPPVRVGPAIGDLAGGLMACVGILAALLERERTGEGQHVDVAMLDAQVSLMANQLASYLATGEVPARVGSAHPSIAPYQPFRTADGRYIAVGVGNDRQFARFCAALGRPELATDPRFATNANRVANRAELDALIADWTAARTRAEWLAALEAAGVACGRVNTLAEVFADPQVAARGMVTEVDHPVTGAVRPVGPPIKLSDTPAAVRRAPPLLGEHTDEVLAALGYDDARIAALRAAGVIRPDEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA

Ligand/Cofactor

Acetyl-CoA

CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O

Validation Metrics

PLDDT96.7
NLMSIM70.0
AACOMP81.9
Seqdif (SeqID)42.5 (WP_315549922.1)
Structdif (F-Target)3.7 (4hl6 C)

ProtNLM

NameScore
CoA transferase0.358
CoA-transferase0.101
Crotonobetainyl-CoA:carnitine CoA-transferase CaiB0.062
Crotonobetainyl-CoA:carnitine CoA-transferase CaiB-like acyl-CoA transferase0.061
2.8.3.160.054
Acetyl-CoA:oxalate CoA-transferase0.038
Designed by MP, using an AMD MI250 GPU