4AQH: Plasminogen activator inhibitor type-1

Plasminogen activator inhibitor type-1 in complex with the inhibitor AZ3976. Determined by X-ray diffraction at 2.4 Å resolution. Released 28 Nov 2012.

Method: X-ray diffraction
Resolution: 2.4 Å
Organism: HOMO SAPIENS
Chains: 3
Atoms: 9,428
Mol. weight: 130.65 kDa
Ligands: TB7
Released: 28 Nov 2012

Explore 4AQH in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4AQH contains 48 α-helices and 54 β-strands across 3 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: 15 helices, 18 β-strands

Element	Residues	Length	Sheet
α-helix	4-7	4
α-helix	8-24	17
β-strand	30	1	1
β-strand	32-34	3	2
α-helix	36-49	14
α-helix	52-62	11
α-helix	71-83	13
α-helix	85-87	3
β-strand	90-100	11	3
α-helix	109-117	9
β-strand	122-124	3	3
α-helix	129-143	15
β-strand	163-174	12	3
β-strand	175	1	4
α-helix	178-180	3
α-helix	181-183	3
β-strand	185-190	6	2
β-strand	196-214	19	2
β-strand	220-227	8	2
β-strand	228	1	4
β-strand	233-240	8	2
α-helix	248-251	4
α-helix	256-264	9
β-strand	267-276	10	2
β-strand	279-285	7	3
α-helix	287-292	6
α-helix	297-299	3
β-strand	319-328	10	3
β-strand	332-342	11	3
α-helix	347-351	5
β-strand	354	1	1
β-strand	357-364	8	2
β-strand	369-377	9	2

Chain B: 16 helices, 18 β-strands

Element	Residues	Length	Sheet
α-helix	5-7	3
α-helix	8-26	19
β-strand	30	1	5
β-strand	32-34	3	6
α-helix	36-49	14
α-helix	52-62	11
α-helix	71-83	13
α-helix	85-87	3
β-strand	90-100	11	7
α-helix	109-117	9
β-strand	122-124	3	7
α-helix	129-143	15
α-helix	152-153	2
β-strand	163-174	12	7
β-strand	175	1	8
α-helix	178-180	3
α-helix	181-183	3
β-strand	185-190	6	6
β-strand	196-214	19	6
β-strand	220-227	8	6
β-strand	228	1	8
β-strand	233-240	8	6
α-helix	248-251	4
α-helix	256-264	9
β-strand	267-276	10	6
β-strand	278-285	8	7
α-helix	287-292	6
α-helix	297-299	3
β-strand	317-328	12	7
β-strand	332-343	12	7
α-helix	348-350	3
β-strand	354	1	5
β-strand	357-364	8	6
β-strand	369-377	9	6

Chain C: 17 helices, 18 β-strands

Element	Residues	Length	Sheet
α-helix	4-7	4
α-helix	8-25	18
β-strand	30	1	9
β-strand	32-34	3	10
α-helix	36-49	14
α-helix	52-62	11
α-helix	71-83	13
α-helix	85-87	3
β-strand	90-100	11	11
α-helix	103-106	4
α-helix	107-109	3
α-helix	110-117	8
β-strand	122-124	3	11
α-helix	129-143	15
β-strand	163-174	12	11
β-strand	175	1	12
α-helix	178-180	3
α-helix	181-183	3
β-strand	185-190	6	10
β-strand	196-214	19	10
β-strand	220-227	8	10
β-strand	228	1	12
β-strand	233-240	8	10
α-helix	248-251	4
α-helix	256-264	9
β-strand	267-276	10	10
β-strand	279-285	7	11
α-helix	287-292	6
α-helix	297-299	3
β-strand	319-328	10	11
β-strand	332-342	11	11
α-helix	348-350	3
β-strand	354	1	9
β-strand	357-364	8	10
β-strand	369-377	9	10

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Plasminogen activator inhibitor 1	A, B, C	protein	383	HOMO SAPIENS	P05121 (AlphaFold model)

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

>4AQH_1 PLASMINOGEN ACTIVATOR INHIBITOR 1 (chains A, B, C)
GSHMVHHPPSYVAHLASDFGVRVFQQVAQASKDRNVVFSPYGVASVLAMLQLTTGGETQQ
QIQAAMGFKIDDKGMAPALRHLYKELMGPWNKDEISTTDAIFVQRDLKLVQGFMPHFFRL
FRSTVKQVDFSEVERARFIINDWVKTHTKGMISNLLGKGAVDQLTRLVLVNALYFNGQWK
TPFPDSSTHRRLFHKSDGSTVSVPMMAQTNKFNYTEFTTPDGHYYDILELPYHGDTLSMF
IAAPYEKEVPLSALTNILSAQLISHWKGNMTRLPRLLVLPKFSLETEVDLRKPLENLGMT
DMFRQFQADFTSLSDQEPLHVAQALQKVKIEVNESGTVASSSTAVIVSARMAPEEIIMDR
PFLFVVRHNPTGTVLFMGQVMEP

Ligands and cofactors

ID	Name	Formula	Copies
TB7	Tert-butyl 3-[(4-oxo-3H-PYRIDO[2,3-d]pyrimidin-2-yl)amino]azetidine-1-carboxyla…	C15 H19 N5 O3	3

Primary citation

Characterization of a Small Molecule Inhibitor of Plasminogen Activator Inhibitor Type 1 that Accelerates the Transition Into the Latent Conformation. Fjellstrom, O., Deinum, J., Sjogren, T. et al. J Biol Chem (2013) 288:873. DOI 10.1074/JBC.M112.371732 · PubMed

Other PDB entries of the same protein (UniProt P05121 (AlphaFold model), which also has an AlphaFold model), best resolution first:

7AQF 1.77 Å, Crystal Structure of Small Molecule Inhibitor TM5484 Bound to Stabilized Active…
1LJ5 1.8 Å, 1.8A Resolution Structure of Latent Plasminogen Activator Inhibitor-1(PAI-1)
6ZRV 1.88 Å, Crystal Structure of Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-W175F)…
1A7C 1.95 Å, Human plasminogen activator inhibitor type-1 in complex with a pentapeptide
3CVM 2.02 Å, High resolution structure of a stable Plasminogen activator inhibitor type-1 in its…
6GWN 2.03 Å, Crystal Structure of Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-W175F)…
1DVN 2.1 Å, Latent form of plasminogen activator inhibitor-1 (pai-1)
4G8R 2.19 Å, Crystal Structure of a novel small molecule inactivator bound to plasminogen activator…
7AQG 2.27 Å, Crystal Structure of Small Molecule Inhibitor TM5484 Bound to Stabilized Active…
1OC0 2.28 Å, plasminogen activator inhibitor-1 complex with somatomedin B domain of vitronectin
6GWP 2.28 Å, Crystal Structure of Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-stab) in…
3PB1 2.3 Å, Crystal Structure of a Michaelis Complex between Plasminogen Activator Inhibitor-1 and…

Browse structure collections

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