2FLB: Coagulation factor VII

Discovery of a Novel Hydroxy Pyrazole Based Factor IXa Inhibitor. Determined by X-ray diffraction at 1.95 Å resolution. Released 4 Apr 2006.

Method: X-ray diffraction
Resolution: 1.95 Å
Organism: Homo sapiens
Chains: 3
Atoms: 4,278
Mol. weight: 70.21 kDa
Ligands: 6NH
Released: 4 Apr 2006

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

Secondary structure: helices and β-sheets

2FLB contains 20 α-helices and 45 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 H: 10 helices, 23 β-strands

Element	Residues	Length	Sheet
β-strand	17	1	5
β-strand	20-21	2	6
β-strand	30-35	6	7
β-strand	39-48	10	7
β-strand	51-54	4	7
α-helix	56-59	4
α-helix	61-63	3
β-strand	64-68	5	7
β-strand	72	1	8
β-strand	81-91	11	7
β-strand	104-108	5	7
β-strand	115	1	9
β-strand	118	1	9
α-helix	120-121	2
β-strand	122	1	6
α-helix	126-129B	6
α-helix	129D-129F	3
β-strand	135-140	6	6
β-strand	143	1	10
α-helix	150	1
β-strand	151	1	10
α-helix	152	1
β-strand	154	1	8
β-strand	156-163	8	6
α-helix	165-170A	7
β-strand	180-183	4	6
β-strand	189	1	5
β-strand	198-203	6	6
β-strand	206-215	10	6
β-strand	226-230	5	6
α-helix	231-234	4
α-helix	235-243	9
β-strand	251-254	4	7

Chain L: 4 helices, 8 β-strands

Element	Residues	Length	Sheet
α-helix	50-52	3
β-strand	60-63	4	1
β-strand	68-71	4	1
β-strand	76-77	2	2
β-strand	83-84	2	2
α-helix	85-87	3
α-helix	94-97	4
β-strand	101-105	5	3
β-strand	108-113	6	3
β-strand	118-120	3	4
β-strand	127-129	3	4
α-helix	139-141	3

Chain T: 6 helices, 14 β-strands

Element	Residues	Length	Sheet
β-strand	10-17	8	11
β-strand	20-26	7	11
α-helix	27-29	3
β-strand	32-40	9	12
α-helix	44-45	2
β-strand	46-52	7	12
β-strand	56-58	3	11
α-helix	60-63	4
β-strand	71-79	9	12
β-strand	93-96	4	12
β-strand	100	1	12
α-helix	102-105	4
β-strand	107	1	11
α-helix	108	1
β-strand	131-136	6	13
β-strand	139-142	4	13
α-helix	143-147	5
β-strand	152-154	3	14
β-strand	190-192	3	14
β-strand	201	1	14

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Coagulation factor VII	L	protein	152	Homo sapiens	P08709 (AlphaFold model)
Coagulation factor VII	H	protein	254	Homo sapiens	P08709 (AlphaFold model)
Tissue factor	T	protein	218	Homo sapiens	P13726 (AlphaFold model)

Sequence of entity 1 (L), FASTA

>2FLB_1 Coagulation factor VII (chains L)
ANAFLEELRPGSLERECKEEQCSFEEAREIFKDAERTKLFWISYSDGDQCASSPCQNGGS
CKDQLQSYICFCLPAFEGRNCETHKDDQLICVNENGGCEQYCSDHTGTKRSCRCHEGYSL
LADGVSCTPTVEYPCGKIPILEKRNASKPQGR

Sequence of entity 2 (H), FASTA

>2FLB_2 Coagulation factor VII (chains H)
IVGGKVCPKGECPWQVLLLVNGAQLCGGTLINTIWVVSAAHCFDKIKNWRNLIAVLGEHD
LSEHDGDEQSRRVAQVIIPSTYVPGTTNHDIALLRLHQPVVLTDHVVPLCLPERTFSERT
LAFVRFSLVSGWGQLLDRGATALELMVLNVPRLMTQDCLQQSRKVGDSPNITEYMFCAGY
SDGSKDSCKGDSGGPHATHYRGTWYLTGIVSWGQGCATVGHFGVYTRVSQYIEWLQKLMR
SEPRPGVLLRAPFP

Sequence of entity 3 (T), FASTA

>2FLB_3 Tissue factor (chains T)
GTTNTVAAYNLTWKSTNFKTILEWEPKPVNQVYTVQISTKSGDWKSKCFYTTDTECDLTD
EIVKDVKQTYLARVFSYPAGNVESTGSAGEPLYENSPEFTPYLETNLGQPTIQSFEQVGT
KVNVTVEDERTLVRRNNTFLSLRDVFGKDLIYTLYYWKSSSSGKKTAKTNTNEFLIDVDK
GENYCFSVQAVIPSRTVNRKSTDSPVECMGQEKGEFRE

Ligands and cofactors

ID	Name	Formula	Copies
6NH	2-(4-hydroxy-5-phenyl-1H-pyrazol-3-yl)-1H-benzoimidazole-5-carboxamidine	C17 H14 N6 O	1

Primary citation

Discovery of novel hydroxy pyrazole based factor IXa inhibitor. Vijaykumar, D., Sprengeler, P.A., Shaghafi, M. et al. Bioorg Med Chem Lett (2006) 16:2796-2799. DOI 10.1016/j.bmcl.2006.01.123 · PubMed

Other PDB entries of the same protein (UniProt P08709 (AlphaFold model), which also has an AlphaFold model), best resolution first:

6R2W 1.25 Å, Crystal structure of the super-active FVIIa variant VYT in complex with tissue factor
5PAG 1.36 Å, Crystal Structure of Factor VIIa in complex with (2R)-2-hydroxy-N-[[3-[5-hydroxy-4-(1H-py…
5PAX 1.36 Å, Crystal Structure of Factor VIIa in complex with 1-(2,6-difluorophenyl)-3-[[3-[5-hydroxy-…
4YLQ 1.4 Å, Crystal Structure of a FVIIa-Trypsin Chimera (FT) in Complex with Soluble Tissue Factor
5PAO 1.4 Å, Crystal Structure of Factor VIIa in complex with (2S)-2,3-dihydroxy-N-[[3-[5-hydroxy-4-(1…
5PAV 1.4 Å, Crystal Structure of Factor VIIa in complex with N-(6-aminopyridin-3-yl)-5-hydroxy-1-phen…
5L0S 1.45 Å, human POGLUT1 in complex with Factor VII EGF1 and UDP
5PAE 1.45 Å, Crystal Structure of Factor VIIa in complex with (2S)-2-hydroxy-N-[[3-[5-hydroxy-4-(1H-py…
5PB2 1.45 Å, Crystal Structure of Factor VIIa in complex with 2-phenyl-4-(1H-pyrrolo[3,2-c]pyridin-2-y…
5PAS 1.48 Å, Crystal Structure of Factor VIIa in complex with (2S)-2-hydroxy-N-[[3-[5-hydroxy-4-(1H-py…
5PAC 1.5 Å, human factor VIIa in complex with 5-hydroxy-N-(4-oxo-3H-quinazolin-6-yl)-1-[3-[(phenylcar…
5PAF 1.5 Å, Crystal Structure of Factor VIIa in complex with N-(2-amino-1H-benzimidazol-5-yl)-2-[3-[(…

Browse structure collections

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