3GTA: ML-IAP/XIAP chimera

Name: PDB 3GTA: Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic
Published: 2010-03-09
License: https://creativecommons.org/publicdomain/zero/1.0/
Keywords: apoptosis

Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic. Determined by X-ray diffraction at 1.7 Å resolution. Released 9 Mar 2010.

Method: X-ray diffraction
Resolution: 1.7 Å
Organism: Homo sapiens
Chains: 2
Atoms: 1,774
Mol. weight: 31.44 kDa
Ligands: ZN, 851, LI, BTB
Released: 9 Mar 2010

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

Secondary structure: helices and β-sheets

3GTA contains 14 α-helices and 6 β-strands across 2 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, 3 β-strands

Element	Residues	Length	Sheet
α-helix	82-84	3
α-helix	87-92	6
α-helix	105-110	6
β-strand	113-115	3	1
β-strand	122-124	3	1
β-strand	130-131	2	1
α-helix	134-135	2
α-helix	140-147	8
α-helix	152-158	7
α-helix	160-166	7

Chain B: 7 helices, 3 β-strands

Element	Residues	Length	Sheet
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	2
β-strand	122-124	3	2
β-strand	130-131	2	2
α-helix	140-147	8
α-helix	152-158	7
α-helix	160-168	9

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Baculoviral IAP repeat-containing 7	A, B	protein	133	Homo sapiens	Q96CA5 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>3GTA_1 Baculoviral IAP repeat-containing 7 (chains A, B)
MGSSHHHHHHSSGEVPRGSHMLETEEEEEEGAGATLSRGPAFPGMGSEELRLASFYDWPL
TAEVPPELLAAAGFFHTGHQDKVRCFFCYGGLQSWKRGDDPWTEHAKWFPGCQFLLRSKG
QEYINNIHLTHSL

Ligands and cofactors

ID	Name	Formula	Copies
ZN	Zinc ion	Zn	2
851	N-{(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin…	C29 H36 N4 O2 S	2
LI	Lithium ion	Li	1
BTB	2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol	C8 H19 N O5	1

Water and common crystallization additives (EDO) are not listed.

Primary citation

Antagonists of inhibitor of apoptosis proteins based on thiazole amide isosteres. Cohen, F., Koehler, M.F., Bergeron, P. et al. Bioorg Med Chem Lett (2010) 20:2229-2233. DOI 10.1016/j.bmcl.2010.02.021 · 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
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
3F7G 2.3 Å, Structure of the BIR domain from ML-IAP bound to a peptidomimetic
1OY7 2.7 Å, Structure and Function Analysis of Peptide Antagonists of Melanoma Inhibitor of…

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