2WUC: HGFA

Crystal structure of HGFA in complex with the allosteric non- inhibitory antibody Fab40.deltaTrp and Ac-KQLR-chloromethylketone. Determined by X-ray diffraction at 2.7 Å resolution. Released 15 Dec 2009.

Method: X-ray diffraction
Resolution: 2.7 Å
Organisms: HOMO SAPIENS, SYNTHETIC CONSTRUCT
Chains: 5
Atoms: 5,319
Mol. weight: 79.8 kDa
Released: 15 Dec 2009

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

Secondary structure: helices and β-sheets

2WUC contains 24 α-helices and 69 β-strands across 4 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: 12 helices, 22 β-strands

Element	Residues	Length	Sheet
β-strand	17	1	1
β-strand	20-21	2	2
α-helix	22-23	2
β-strand	30-35	6	3
β-strand	40-48	9	3
β-strand	51-54	4	3
α-helix	56-58	3
α-helix	61-63	3
β-strand	64-68	5	3
β-strand	72	1	4
β-strand	81-90	10	3
β-strand	104-108	5	3
α-helix	109-110	2
β-strand	115	1	5
β-strand	118	1	5
α-helix	120-121	2
β-strand	122	1	2
α-helix	123-125	3
β-strand	135-140	6	2
β-strand	154	1	4
β-strand	156-161	6	2
β-strand	162	1	6
α-helix	163-164	2
α-helix	165-168	4
α-helix	173-175	3
β-strand	180-183	4	6
β-strand	189	1	1
β-strand	198-203	6	2
β-strand	206-212	7	2
β-strand	213-215	3	6
α-helix	225	1
β-strand	226-229	4	6
α-helix	231-234	4
α-helix	235-242	8

Chain H: 6 helices, 25 β-strands

Element	Residues	Length	Sheet
β-strand	3-7	5	7
β-strand	10-12	3	8
β-strand	18-25	8	7
β-strand	33-39	7	8
β-strand	46-52	7	8
β-strand	56-59	4	8
α-helix	61-63	3
β-strand	67-72	6	7
β-strand	77-82	6	7
α-helix	84-86	3
β-strand	88-91	4	8
β-strand	94-95	2	8
β-strand	100	1	8
β-strand	107-111	5	8
α-helix	115-116	2
β-strand	117	1	9
β-strand	120-124	5	10
β-strand	135-145	11	10
β-strand	146	1	9
β-strand	151-154	4	11
α-helix	155-157	3
β-strand	159	1	11
β-strand	163-165	3	10
α-helix	166-168	3
β-strand	169-170	2	10
β-strand	176-185	10	10
β-strand	189	1	12
β-strand	192	1	12
β-strand	194-200	7	11
α-helix	201-203	3
β-strand	205-211	7	11

Chain I: 0 helices, 1 β-strand

Element	Residues	Length	Sheet
β-strand	4	1	6

Chain L: 6 helices, 21 β-strands

Element	Residues	Length	Sheet
β-strand	4-7	4	13
β-strand	10-14	5	8
β-strand	19-25	7	13
β-strand	33-38	6	8
β-strand	45-49	5	8
β-strand	53-54	2	8
α-helix	55	1
β-strand	62-66	5	13
β-strand	70-75	6	13
α-helix	80-82	3
β-strand	84-90	7	8
α-helix	96	1
β-strand	97-98	2	8
β-strand	102-107	6	8
β-strand	111	1	14
β-strand	114-118	5	15
α-helix	119-121	3
α-helix	125-127	3
β-strand	129-139	11	15
β-strand	140	1	14
β-strand	145-150	6	16
β-strand	153-154	2	16
β-strand	159-163	5	15
β-strand	173-182	10	15
α-helix	183-187	5
β-strand	191-197	7	16
β-strand	205-210	6	16

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Hepatocyte growth factor activator long chain	A	protein	257	HOMO SAPIENS	Q04756 (AlphaFold model)
Hepatocyte growth factor activator short chain	B	protein	35	HOMO SAPIENS	Q04756 (AlphaFold model)
FAB fragment FAB40.DELTATRP heavy chain	H	protein	224	HOMO SAPIENS
Ace-kqlr-chloromethylketone inhibitor	I	protein	6	SYNTHETIC CONSTRUCT
FAB fragment FAB40.DELTATRP light chain	L	protein	214	HOMO SAPIENS

Sequence of entity 1 (A), FASTA

>2WUC_1 HEPATOCYTE GROWTH FACTOR ACTIVATOR LONG CHAIN (chains A)
IIGGSSSLPGSHPWLAAIYIGDSFCAGSLVHTCWVVSAAHCFSHSPPRDSVSVVLGQHFF
NRTTDVTQTFGIEKYIPYTLYSVFNPSDHDLVLIRLKKKGDRCATRSQFVQPICLPEPGS
TFPAGHKCQIAGWGHLDENVSGYSSSLREALVPLVADHKCSSPEVYGADISPNMLCAGYF
DCKSDACQGDSGGPLACEKNGVAYLYGIISWGDGCGRLHKPGVYTRVANYVDWINDRIRP
PRRLVAPSAAAHHHHHH

Sequence of entity 2 (B), FASTA

>2WUC_2 HEPATOCYTE GROWTH FACTOR ACTIVATOR SHORT CHAIN (chains B)
VQLSPDLLATLPEPASPGRQACGRRHKKRTFLRPR

Sequence of entity 3 (H), FASTA

>2WUC_3 FAB FRAGMENT FAB40.DELTATRP HEAVY CHAIN (chains H)
EVQLVESGGGLVQPGGSLRLSCAASGFTINGTYIHWVRQAPGKGLEWVGGIYPAGGATYY
ADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCAKWAWPAFDYWGQGTLVTVSSAST
KGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLY
SLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTH

Sequence of entity 4 (I), FASTA

>2WUC_4 ACE-KQLR-CHLOROMETHYLKETONE INHIBITOR (chains I)
XKQLRX

Sequence of entity 5 (L), FASTA

>2WUC_5 FAB FRAGMENT FAB40.DELTATRP LIGHT CHAIN (chains L)
DIQMTQSPSSLSASVGDRVTITCRASQDVSTAVAWYQQKPGKAPKLLIYSASFLYSGVPS
RFSGSGSGTDFTLTISSLQPEDFATYYCQQSNRAPATFGQGTKVEIKRTVAAPSVFIFPP
SDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLT
LSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Primary citation

Unraveling the Allosteric Mechanism of Serine Protease Inhibition by an Antibody. Ganesan, R., Eigenbrot, C., Wu, Y. et al. Structure (2009) 17:1614. DOI 10.1016/J.STR.2009.09.014 · PubMed

Other PDB entries of the same protein (UniProt Q04756 (AlphaFold model), which also has an AlphaFold model), best resolution first:

2R0L 2.2 Å, Short Form HGFA with Inhibitory Fab75
3K2U 2.35 Å, Crystal structure of HGFA in complex with the allosteric inhibitory antibody Fab40
1YC0 2.6 Å, short form HGFA with first Kunitz domain from HAI-1
1YBW 2.7 Å, Protease domain of HGFA with no inhibitor
2WUB 2.9 Å, Crystal structure of HGFA in complex with the allosteric non- inhibitory antibody…
2R0K 3.51 Å, Protease domain of HGFA with inhibitor Fab58

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