3F7G: BIR domain from ML-IAP

Name: PDB 3F7G: Structure of the BIR domain from ML-IAP bound to a peptidomimetic
Published: 2009-03-17
License: https://creativecommons.org/publicdomain/zero/1.0/
Keywords: apoptosis

Structure of the BIR domain from ML-IAP bound to a peptidomimetic. Determined by X-ray diffraction at 2.3 Å resolution. Released 17 Mar 2009.

Method: X-ray diffraction
Resolution: 2.3 Å
Organism: Homo sapiens
Chains: 5
Atoms: 4,283
Mol. weight: 79.94 kDa
Ligands: ZN, P33, 389
Released: 17 Mar 2009

Explore 3F7G in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3F7G contains 33 α-helices and 19 β-strands across 5 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 7 helices, 4 β-strands

Element	Residues	Length	Sheet
β-strand	74-75	2	1
α-helix	82-85	4
α-helix	87-93	7
α-helix	94-96	3
α-helix	105-110	6
β-strand	113-116	4	2
β-strand	121-124	4	2
β-strand	130-132	3	2
α-helix	140-147	8
α-helix	152-158	7
α-helix	160-168	9

Chain B: 7 helices, 4 β-strands

Element	Residues	Length	Sheet
β-strand	74-75	2	3
α-helix	82-85	4
α-helix	87-92	6
α-helix	93-96	4
α-helix	105-110	6
β-strand	113-115	3	4
β-strand	122-124	3	4
β-strand	130-132	3	4
α-helix	140-147	8
α-helix	152-158	7
α-helix	160-169	10

Chain C: 6 helices, 4 β-strands

Element	Residues	Length	Sheet
β-strand	74-75	2	4
α-helix	82-85	4
α-helix	87-92	6
α-helix	105-110	6
β-strand	113-115	3	3
β-strand	122-124	3	3
β-strand	130-132	3	3
α-helix	140-147	8
α-helix	152-158	7
α-helix	160-169	10

Chain D: 7 helices, 4 β-strands

Element	Residues	Length	Sheet
β-strand	74-75	2	2
α-helix	82-85	4
α-helix	87-92	6
α-helix	93-96	4
α-helix	105-110	6
β-strand	113-115	3	1
β-strand	122-124	3	1
β-strand	130-132	3	1
α-helix	140-147	8
α-helix	152-158	7
α-helix	160-168	9

Chain E: 6 helices, 3 β-strands

Element	Residues	Length	Sheet
α-helix	82-84	3
α-helix	87-92	6
α-helix	99-101	3
α-helix	105-110	6
β-strand	113-115	3	5
β-strand	122-124	3	5
β-strand	130-131	2	5
α-helix	140-147	8
α-helix	152-168	17

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Baculoviral IAP repeat-containing protein 7	A, B, C, D, E	protein	140	Homo sapiens	Q96CA5 (AlphaFold model)

Sequence of entity 1 (A, B, C, D, E), FASTA

>3F7G_1 Baculoviral IAP repeat-containing protein 7 (chains A, B, C, D, E)
MGSSHHHHHHSSGEVPRGSHMLETEEEEEEGAGATLSRGPAFPGMGSEELRLASFYDWPL
TAEVPPELLAAAGFFHTGHQDKVRCFFCYGGLQSWKRGDDPWTEHAKWFPSCQFLLRSKG
RDFVHSVQETHSQLLGSWDP

Ligands and cofactors

ID	Name	Formula	Copies
ZN	Zinc ion	Zn	5
P33	3,6,9,12,15,18-hexaoxaicosane-1,20-diol	C14 H30 O8	1
389	L-alanyl-L-valyl-N-(2,2-diphenylethyl)-L-prolinamide	C27 H36 N4 O3	1

Primary citation

Orally bioavailable antagonists of inhibitor of apoptosis proteins based on an azabicyclooctane scaffold. Cohen, F., Alicke, B., Elliott, L.O. et al. J Med Chem (2009) 52:1723-1730. DOI 10.1021/jm801450c · PubMed

Other PDB entries of the same protein (UniProt Q96CA5 (AlphaFold model), which also has an AlphaFold model), best resolution first:

2I3H 1.62 Å, Structure of an ML-IAP/XIAP chimera bound to a 4-mer peptide (AVPW)
3GT9 1.7 Å, Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic
3GTA 1.7 Å, Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic
3UW5 1.71 Å, Crystal structure of the BIR domain of MLIAP bound to GDC0152
1TW6 1.71 Å, Structure of an ML-IAP/XIAP chimera bound to a 9mer peptide derived from Smac
3F7H 1.8 Å, Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic
3F7I 1.9 Å, Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic
4AUQ 2.18 Å, Structure of BIRC7-UbcH5b-Ub complex.
1OXN 2.2 Å, Structure and Function Analysis of Peptide Antagonists of Melanoma Inhibitor of…
1OXQ 2.3 Å, Structure and Function Analysis of Peptide Antagonists of Melanoma Inhibitor of…
2I3I 2.3 Å, Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic
1OY7 2.7 Å, Structure and Function Analysis of Peptide Antagonists of Melanoma Inhibitor of…

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