PDB entry 6i1s

View 6i1s on RCSB PDB site
Description: Crystal structure of the ACVR1 (ALK2) kinase in complex with FKBP12 and the inhibitor E6201
Class: signaling protein
Keywords: Kinase, Inhibitor, ALK2, ACVR1, FKBP12, Complex, SIGNALING PROTEIN
Deposited on 2018-10-30, released 2019-09-11
The last revision prior to the SCOPe 2.08 freeze date was dated 2020-03-25, with a file datestamp of 2020-03-20.
Experiment type: XRAY
Resolution: 1.52 Å
R-factor: N/A
AEROSPACI score: 0.48 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Activin receptor type-1
    Species: Homo sapiens [TaxId:9606]
    Gene: ACVR1, ACVRLK2
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q04771 (2-329)
      • expression tag (0-1)
    Domains in SCOPe 2.08: d6i1sa1, d6i1sa2
  • Chain 'B':
    Compound: Peptidyl-prolyl cis-trans isomerase FKBP1A
    Species: Homo sapiens [TaxId:9606]
    Gene: FKBP1A, FKBP1, FKBP12
    Database cross-references and differences (RAF-indexed):
    • Uniprot P62942 (1-108)
      • expression tag (0)
    Domains in SCOPe 2.08: d6i1sb1, d6i1sb2
  • Heterogens: E26, EDO, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >6i1sA (A:)
smttnvgdstladlldhsctsgsgsglpflvqrtvarqitllecvgkgrygevwrgswqg
envavkifssrdekswfretelyntvmlrhenilgfiasdmtsrhsstqlwlithyhemg
slydylqlttldtvsclrivlsiasglahlhieifgtqgkpaiahrdlksknilvkkngq
cciadlglavmhsqstnqldvgnnprvgtkrymapevldetiqvdcfdsykrvdiwafgl
vlwevarrmvsngivedykppfydvvpndpsfedmrkvvcvdqqrpnipnrwfsdptlts
laklmkecwyqnpsarltalrikktltkid

    Sequence, based on observed residues (ATOM records): (download) 
    >6i1sA (A:)
smttnvgdstladlldhsgsglpflvqrtvarqitllecvgkgrygevwrgswqgenvav
kifssrdekswfretelyntvmlrhenilgfiasdmtsstqlwlithyhemgslydylql
ttldtvsclrivlsiasglahlhieifgtqgkpaiahrdlksknilvkkngqcciadlgl
avmhsqstnqldvgnnprvgtkrymapevldetiqvdcfdsykrvdiwafglvlwevarr
mvsngivedykppfydvvpndpsfedmrkvvcvdqqrpnipnrwfsdptltslaklmkec
wyqnpsarltalrikktltkid

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >6i1sB (B:)
smgvqvetispgdgrtfpkrgqtcvvhytgmledgkkfdssrdrnkpfkfmlgkqevirg
weegvaqmsvgqrakltispdyaygatghpgiipphatlvfdvellkle