PDB entry 5mw3

View 5mw3 on RCSB PDB site
Description: Crystal structure of Dot1L in complex with inhibitor CPD1 [N6-(2,6-dichlorophenyl)-N6-(pent-2-yn-1-yl)quinoline-4,6-diamine] and inhibitor CPD2 [(R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine]
Class: transferase
Keywords: inhibitor, complex, methyltransferase, transferase
Deposited on 2017-01-18, released 2017-03-22
The last revision prior to the SCOPe 2.08 freeze date was dated 2017-04-05, with a file datestamp of 2017-03-31.
Experiment type: XRAY
Resolution: 2.09 Å
R-factor: N/A
AEROSPACI score: 0.29 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Histone-lysine N-methyltransferase, H3 lysine-79 specific
    Species: Homo sapiens [TaxId:9606]
    Gene: DOT1L, KIAA1814, KMT4
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d5mw3a_
  • Chain 'B':
    Compound: Histone-lysine N-methyltransferase, H3 lysine-79 specific
    Species: Homo sapiens [TaxId:9606]
    Gene: DOT1L, KIAA1814, KMT4
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d5mw3b_
  • Heterogens: 5JJ, 5JT, TLA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >5mw3A (A:)
gpgeklelrlkspvgaepavypwplpvydkhhdaaheiietirwvceeipdlklamenyv
lidydtksfesmqrlcdkynraidsihqlwkgttqpmklntrpstgllrhilqqvynhsv
tdpeklnnyepfspevygetsfdlvaqmideikmtdddlfvdlgsgvgqvvlqvaaatnc
khhygvekadipakyaetmdrefrkwmkwygkkhaeytlergdflseewreriantsvif
vnnfafgpevdhqlkerfanmkeggrivsskpfaplnfrinsrnlsdigtimrvvelspl
kgsvswtgkpvsyylhtidrtilenyfsslknpg

    Sequence, based on observed residues (ATOM records): (download) 
    >5mw3A (A:)
lelrlkspvgaepavypwplpvydkhhdaaheiietirwvceeipdlklamenyvlidyd
tksfesmqrlcdkynraidsihqlwkgtntrpstgllrhilqqvynhsvtdpeklnnyep
fspevygetsfdlvaqmideikmtdddlfvdlgsgvgqvvlqvaaatnckhhygvekadi
pakyaetmdrefrkwmkwygkkhaeytlergdflseewreriantsvifvnnfafgpevd
hqlkerfanmkeggrivsskpfaplnfrinsrnlsdigtimrvvelsplkswtgkpvsyy
lhtidrtilenyfsslknp

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >5mw3B (B:)
gpgeklelrlkspvgaepavypwplpvydkhhdaaheiietirwvceeipdlklamenyv
lidydtksfesmqrlcdkynraidsihqlwkgttqpmklntrpstgllrhilqqvynhsv
tdpeklnnyepfspevygetsfdlvaqmideikmtdddlfvdlgsgvgqvvlqvaaatnc
khhygvekadipakyaetmdrefrkwmkwygkkhaeytlergdflseewreriantsvif
vnnfafgpevdhqlkerfanmkeggrivsskpfaplnfrinsrnlsdigtimrvvelspl
kgsvswtgkpvsyylhtidrtilenyfsslknpg

    Sequence, based on observed residues (ATOM records): (download) 
    >5mw3B (B:)
klelrlkspvgaepavypwplpvydkhhdaaheiietirwvceeipdlklamenyvlidy
dtksfesmqrlcdkynraidsihqlwkgtlntrpstgllrhilqqvynhsvtdpeklnny
epfspevygetsfdlvaqmideikmtdddlfvdlgsgvgqvvlqvaaatnckhhygveka
dipakyaetmdrefrkwmkwygkkhaeytlergdflseewreriantsvifvnnfafgpe
vdhqlkerfanmkeggrivsskpfaplnfrinsrnlsdigtimrvvelsplkvswtgkpv
syylhtidrtilenyfsslkn