4FQI: Fab CR9114

Crystal Structure of Fab CR9114 in Complex with a H5N1 influenza virus hemagglutinin. Determined by X-ray diffraction at 1.71 Å resolution. Released 22 Aug 2012.

Method: X-ray diffraction
Resolution: 1.71 Å
Organisms: Influenza A virus, Homo sapiens
Chains: 4
Atoms: 8,532
Mol. weight: 107.49 kDa
Ligands: NAG
Released: 22 Aug 2012

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

Secondary structure: helices and β-sheets

4FQI contains 27 α-helices and 95 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: 7 helices, 41 β-strands

Element	Residues	Length	Sheet
β-strand	12-17	6	1
β-strand	18	1	2
β-strand	25-26	2	3
β-strand	34-35	2	3
β-strand	36	1	4
β-strand	39-41	3	5
β-strand	43-44	2	6
β-strand	51-54	4	7
β-strand	56	1	7
β-strand	59-60	2	8
β-strand	64	1	9
α-helix	66-71	6
α-helix	74-79	6
β-strand	87-89	3	8
β-strand	95	1	9
β-strand	100-102	3	10
α-helix	105-112	8
β-strand	115-122	8	10
α-helix	125A-126	3
β-strand	131	1	11
β-strand	136-141	6	12
β-strand	144-146	3	12
β-strand	151-153	3	10
β-strand	155	1	11
β-strand	157	1	13
β-strand	160	1	13
α-helix	162-163	2
β-strand	164-169	6	14
β-strand	176-184	9	10
α-helix	188-195	8
β-strand	202-205	4	14
β-strand	210-213	4	14
β-strand	223	1	15
β-strand	226	1	15
β-strand	229-237	9	10
β-strand	242-247	6	14
β-strand	251-254	4	10
β-strand	256-262	8	10
β-strand	267-269	3	8
β-strand	274-279	6	7
β-strand	281-283	3	16
β-strand	286-288	3	16
β-strand	294-295	2	6
β-strand	302-303	2	16
α-helix	306	1
β-strand	307-308	2	6
β-strand	315-317	3	5
β-strand	321	1	4

Chain B: 5 helices, 7 β-strands

Element	Residues	Length	Sheet
β-strand	6	1	17
β-strand	10	1	17
β-strand	14	1	2
β-strand	22-28	7	1
β-strand	31-36	6	1
α-helix	38-58	21
α-helix	75-126	52
α-helix	127-129	3
β-strand	130-132	3	1
β-strand	137-140	4	1
α-helix	146-153	8
α-helix	159-175	17

Chain H: 6 helices, 22 β-strands

Element	Residues	Length	Sheet
β-strand	3-6	4	18
β-strand	10-12	3	19
β-strand	18-25	8	18
β-strand	34-39	6	19
β-strand	45-52	8	19
β-strand	56-59	4	19
α-helix	61-63	3
β-strand	67-72	6	18
β-strand	77-82	6	18
α-helix	84-86	3
β-strand	88-95	8	19
β-strand	100D-103	4	19
β-strand	107-111	5	19
β-strand	117	1	20
α-helix	118-119	2
β-strand	120-124	5	21
β-strand	135-145	11	21
β-strand	146	1	20
β-strand	151-154	4	22
α-helix	155-157	3
β-strand	159	1	22
β-strand	163-165	3	21
α-helix	166-168	3
β-strand	169-170	2	21
β-strand	176-185	10	21
β-strand	195-200	6	22
α-helix	201-203	3
β-strand	205-210	6	22

Chain L: 9 helices, 25 β-strands

Element	Residues	Length	Sheet
β-strand	4	1	23
β-strand	5	1	24
β-strand	9-13	4	25
β-strand	19-24	6	24
α-helix	27-29	5
β-strand	33-38	6	25
β-strand	45-48	4	25
β-strand	49	1	26
β-strand	53	1	26
β-strand	62-67	6	24
β-strand	70-75	6	24
α-helix	80-82	3
β-strand	84-92	9	25
β-strand	95B-98	4	25
β-strand	99	1	23
β-strand	102-106	5	25
α-helix	108-110	3
β-strand	111	1	27
α-helix	112-113	2
β-strand	114-118	5	28
α-helix	119-121	3
α-helix	122-126	5
β-strand	130-139	10	28
β-strand	140	1	27
β-strand	145-150	6	29
β-strand	153-154	2	29
α-helix	155	1
β-strand	159-161	3	28
α-helix	162-164	3
β-strand	165-166	2	28
β-strand	172-180	9	28
α-helix	182-187	6
β-strand	191-197	7	29
β-strand	200-206	7	29

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Hemagglutinin HA1	A	protein	334	Influenza A virus	Q6DQ33
Hemagglutinin HA2	B	protein	177	Influenza A virus	Q6DQ33
antibody CR9114 heavy chain	H	protein	230	Homo sapiens
antibody CR9114 light chain	L	protein	216	Homo sapiens

Sequence of entity 1 (A), FASTA

>4FQI_1 Hemagglutinin HA1 (chains A)
ADPGDQICIGYHANNSTEQVDTIMEKNVTVTHAQDILEKKHNGKLCDLDGVKPLILRDCS
VAGWLLGNPMCDEFINVPEWSYIVEKANPVNDLCYPGDFNDYEELKHLLSRINHFEKIQI
IPKSSWSSHEASLGVSSACPYQGKSSFFRNVVWLIKKNSTYPTIKRSYNNTNQEDLLVLW
GIHHPNDAAEQTKLYQNPTTYISVGTSTLNQRLVPRIATRSKVNGQSGRMEFFWTILKPN
DAINFESNGNFIAPEYAYKIVKKGDSTIMKSELEYGNCNTKCQTPMGAINSSMPFHNIHP
LTIGECPKYVKSNRLVLATGLRNSPQRERRRKKR

Sequence of entity 2 (B), FASTA

>4FQI_2 Hemagglutinin HA2 (chains B)
GLFGAIAGFIEGGWQGMVDGWYGYHHSNEQGSGYAADKESTQKAIDGVTNKVNSIIDKMN
TQFEAVGREFNNLERRIENLNKKMEDGFLDVWTYNAELLVLMENERTLDFHDSNVKNLYD
KVRLQLRDNAKELGNGCFEFYHKCDNECMESVRNGTYDYPQYSEEARLKREEISSGR

Sequence of entity 3 (H), FASTA

>4FQI_3 antibody CR9114 heavy chain (chains H)
QVQLVQSGAEVKKPGSSVKVSCKSSGGTSNNYAISWVRQAPGQGLDWMGGISPIFGSTAY
AQKFQGRVTISADIFSNTAYMELNSLTSEDTAVYFCARHGNYYYYSGMDVWGQGTTVTVS
SASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQS
SGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCHHHHHH

Sequence of entity 4 (L), FASTA

>4FQI_4 antibody CR9114 light chain (chains L)
QSALTQPPAVSGTPGQRVTISCSGSDSNIGRRSVNWYQQFPGTAPKLLIYSNDQRPSVVP
DRFSGSKSGTSASLAISGLQSEDEAEYYCAAWDDSLKGAVFGGGTQLTVLGQPKAAPSVT
LFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASS
YLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS

Ligands and cofactors

ID	Name	Formula	Copies
NAG	2-acetamido-2-deoxy-beta-D-glucopyranose	C8 H15 N O6	3

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

Primary citation

Highly conserved protective epitopes on influenza B viruses. Dreyfus, C., Laursen, N.S., Kwaks, T. et al. Science (2012) 337:1343-1348. DOI 10.1126/science.1222908 · PubMed

Other PDB entries of the same protein (UniProt Q6DQ33), best resolution first:

4XNQ 2.0 Å, Antibody hemagglutinin Complexes
6CF5 2.04 Å, Crystal structure of the A/Viet Nam/1203/2004(H5N1) influenza virus hemagglutinin in…
4KDO 2.4 Å, Crystal structure of the hemagglutinin of ferret-transmissible H5N1 virus in complex…
4KDN 2.48 Å, Crystal structure of the hemagglutinin of ferret-transmissible H5N1 virus in complex…
4KDM 2.5 Å, Crystal structure of the hemagglutinin of ferret-transmissible H5N1 virus
4XNM 2.51 Å, Antibody Influenza H5 Complex
3GBM 2.7 Å, Crystal Structure of Fab CR6261 in Complex with a H5N1 influenza virus hemagglutinin.
4XRC 2.74 Å, Antibody hemagglutinin Complexes
5A3I 2.89 Å, Crystal Structure of a Complex formed between FLD194 Fab and Transmissible Mutant H5…
6E3H 2.9 Å, Crystal structure of S9-3-37 bound to H5 influenza hemagglutinin
4N5Z 2.95 Å, Crystal structure of aerosol transmissible influenza H5 hemagglutinin mutant (N158D,…
6E7G 3.09 Å, Crystal structure of H5 hemagglutinin mutant Y161A from A/Viet Nam/1203/2004 H5N1…

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