eF-site ID 4hw3-A
PDB Code 4hw3
Chain A

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Title Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based design
Classification APOPTOSIS/INHIBITOR
Compound Induced myeloid leukemia cell differentiation protein Mcl-1
Source Homo sapiens (Human) (MCL1_HUMAN)
Sequence A:  GDELYRQSLEIISRYLREQATGAKDTKPMGRSGATSRKAL
ETLRRVGDGVQRNHETAFQGMLRKLDIKNEDDVKSLSRVM
IHVFSDGVTNWGRIVTLISFGAFVAKHLKTINQESCIEPL
AESITDVLVRTKRDWLVKQRGWDGFVEFFH
Description


Functional site

1) chain A
residue 228
type
sequence F
description BINDING SITE FOR RESIDUE 19G A 400
source : AC1

2) chain A
residue 246
type
sequence L
description BINDING SITE FOR RESIDUE 19G A 400
source : AC1

3) chain A
residue 253
type
sequence V
description BINDING SITE FOR RESIDUE 19G A 400
source : AC1

4) chain A
residue 263
type
sequence R
description BINDING SITE FOR RESIDUE 19G A 400
source : AC1

5) chain A
residue 266
type
sequence T
description BINDING SITE FOR RESIDUE 19G A 400
source : AC1

6) chain A
residue 267
type
sequence L
description BINDING SITE FOR RESIDUE 19G A 400
source : AC1

7) chain A
residue 270
type
sequence F
description BINDING SITE FOR RESIDUE 19G A 400
source : AC1

8) chain A
residue 308
type
sequence K
description BINDING SITE FOR RESIDUE 19G C 400
source : AC3

9) chain A
residue 258
type
sequence V
description BINDING SITE FOR RESIDUE 19G E 400
source : AC5

10) chain A
residue 253-272
type prosite
sequence VFSDGVTNWGRIVTLISFGA
description BH1 Apoptosis regulator, Bcl-2 family BH1 motif signature. VFsDGvtNWGRIVTLIsFGA
source prosite : PS01080

11) chain A
residue 305-316
type prosite
sequence WLVKQRGWDGFV
description BH2 Apoptosis regulator, Bcl-2 family BH2 motif signature. WLvkqRGWDgFV
source prosite : PS01258

12) chain A
residue 209-223
type prosite
sequence ALETLRRVGDGVQRN
description BH3 Apoptosis regulator, Bcl-2 family BH3 motif signature. AletLRrVGDGVQRN
source prosite : PS01259

13) chain A
residue 194
type CROSSLNK
sequence K
description Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin)
source Swiss-Prot : SWS_FT_FI1

14) chain A
residue 197
type CROSSLNK
sequence K
description Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin)
source Swiss-Prot : SWS_FT_FI1


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