2I3I: ML-IAP/XIAP chimera

Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic. Determined by X-ray diffraction at 2.3 Å resolution. Released 19 Sept 2006.

Method: X-ray diffraction
Resolution: 2.3 Å
Organism: Homo sapiens
Chains: 2
Atoms: 1,724
Mol. weight: 31.42 kDa
Ligands: ZN, 618, LI, BTB
Released: 19 Sept 2006

Explore 2I3I in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

2I3I 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	160-170	11

Molecules and chains

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

Sequence of entity 1 (A, B), FASTA

>2I3I_1 Baculoviral IAP repeat-containing protein 7 (chains A, B)
MGSSHHHHHHSSGEVPRGSHMLETEEEEEEGAGATLSRGPAFPGMGSEELRLASFYDWPL
TAEVPPELLAAAGFFHTGHQDKVRCFFCYGGLQSWKRGDDPWTEHAKWFPGCQFLLRSKG
QEYINNIHLTHSL

Ligands and cofactors

ID	Name	Formula	Copies
ZN	Zinc ion	Zn	2
618	(3R,6R,9AR)-2,2-dimethyl-6-[(N-methyl-L-alanyl)amino]-N-(3-methyl-1-phenyl-1H-P…	C25 H32 N6 O3 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

Design, synthesis, and biological activity of a potent Smac mimetic that sensitizes cancer cells to apoptosis by antagonizing IAPs. Zobel, K., Wang, L., Varfolomeev, E. et al. ACS Chem Biol (2006) 1:525-533. DOI 10.1021/cb600276q · 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…
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…

Browse structure collections

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