6FN1: Human-mouse chimeric ABCB1

Zosuquidar and UIC2 Fab complex of human-mouse chimeric ABCB1 (ABCB1HM). Determined by electron microscopy at 3.58 Å resolution. Released 21 Feb 2018.

Method: Electron microscopy
Resolution: 3.58 Å
Organisms: Homo sapiens, Mus musculus
Chains: 3
Atoms: 12,739
Mol. weight: 188.14 kDa
Ligands: ZQU, NAG
Released: 21 Feb 2018

Explore 6FN1 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6FN1 contains 61 α-helices and 69 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: 51 helices, 26 β-strands

Element	Residues	Length	Sheet
α-helix	35-38	4
α-helix	44-61	18
α-helix	63-87	25
α-helix	98-108	11
α-helix	110-155	46
α-helix	159-164	6
α-helix	167-185	19
α-helix	188-209	22
α-helix	211-236	26
α-helix	247-258	12
α-helix	260-263	4
α-helix	269-320	52
α-helix	327-346	20
α-helix	348-369	22
β-strand	382	1	1
β-strand	391-398	8	2
β-strand	409-416	8	2
β-strand	421-426	6	3
α-helix	432-439	8
β-strand	447-452	6	2
β-strand	455-456	2	2
α-helix	457-459	3
β-strand	460	1	1
α-helix	462-467	6
β-strand	469-472	4	3
α-helix	483-490	8
α-helix	496-505	10
α-helix	509-513	5
α-helix	532-545	14
β-strand	550-554	5	3
α-helix	564-575	12
β-strand	580-584	5	3
β-strand	596-601	6	3
β-strand	604-609	6	3
α-helix	611-617	7
α-helix	620-628	9
α-helix	696-702	7
α-helix	707-737	31
α-helix	744-797	54
α-helix	800-803	4
α-helix	810-822	13
α-helix	825	1
α-helix	826-830	5
α-helix	831-852	22
α-helix	854-878	25
α-helix	893-901	9
α-helix	903-908	6
α-helix	912-964	53
α-helix	970-977	8
α-helix	978-982	5
α-helix	983-993	11
α-helix	998-1010	13
β-strand	1034-1041	8	4
β-strand	1052-1059	8	4
β-strand	1064-1069	6	5
α-helix	1077-1082	6
β-strand	1090-1095	6	4
β-strand	1098-1099	2	4
α-helix	1100-1102	3
α-helix	1105-1110	6
β-strand	1113-1115	3	5
β-strand	1125	1	6
α-helix	1126-1131	6
α-helix	1141-1150	10
α-helix	1154-1157	4
β-strand	1167	1	6
β-strand	1168	1	7
β-strand	1173	1	7
α-helix	1174-1176	3
α-helix	1177-1190	14
β-strand	1195-1199	5	5
α-helix	1210-1220	11
β-strand	1225-1229	5	5
β-strand	1241-1246	6	5
β-strand	1249-1250	2	5
α-helix	1256-1261	6
α-helix	1265-1272	8

Chain B: 6 helices, 20 β-strands

Element	Residues	Length	Sheet
β-strand	5-7	3	8
β-strand	10	1	9
β-strand	19-24	6	8
β-strand	39-43	5	10
α-helix	48	1
β-strand	49-54	6	10
β-strand	67-72	6	8
β-strand	75-80	6	8
β-strand	90-94	5	10
α-helix	103-105	3
β-strand	108	1	10
β-strand	109	1	9
α-helix	114-116	3
β-strand	117	1	11
β-strand	120-124	5	12
α-helix	125-127	3
α-helix	128-133	6
β-strand	135-145	11	12
β-strand	146	1	11
β-strand	150-156	7	13
β-strand	159-160	2	13
β-strand	166-169	4	12
β-strand	179-188	10	12
α-helix	189-193	5
β-strand	198-204	7	13
β-strand	207-215	9	13

Chain C: 4 helices, 23 β-strands

Element	Residues	Length	Sheet
β-strand	3-6	4	14
β-strand	10	1	15
α-helix	12	1
β-strand	13	1	16
β-strand	19-25	7	14
β-strand	33-39	7	15
β-strand	45-51	7	15
β-strand	59-60	2	15
β-strand	69-73	5	14
β-strand	78-82	5	14
α-helix	88-90	3
β-strand	92-99	8	15
β-strand	111-112	2	15
β-strand	116-118	3	15
β-strand	121	1	16
β-strand	126	1	17
β-strand	129-133	5	18
α-helix	134-136	3
β-strand	144-152	9	18
β-strand	155	1	17
β-strand	160-163	4	19
α-helix	164-166	3
β-strand	173-174	2	18
β-strand	178-180	3	18
β-strand	183-193	11	18
β-strand	203-208	6	19
β-strand	213-218	6	19

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Human-mouse chimeric ABCB1 (ABCBHM)	A	protein	1249	Homo sapiens	P08183 (AlphaFold model)
UIC2 Antigen Binding Fragment Light chain	B	protein	220	Mus musculus
UIC2 Antigen Binding Fragment Heavy Chain	C	protein	225	Mus musculus

Sequence of entity 1 (A), FASTA

>6FN1_1 Human-mouse chimeric ABCB1 (ABCBHM) (chains A)
PAVSVLTMFRYAGWLDRLYMLVGTLAAIIHGVALPLMMLIFGEMTDIFANAGNLEDLMSN
ITNRSDINDTGFFMNLEEDMTTYAYYYTGIGAGVLIVAYIQVSFWLLAAGRQIHKIRQKF
FHAIMNQEIGWFDVHDVGELNTRLTDDVSKINEGIGDKIGMFFQAMATFFGGFIIGFTRG
WKLTLVILAISPVLGLSAGIWAKILSSFTDKELHAYAKAGAVAEEVLAAIRTVIAFGGQK
KELERYNNNLEEAKRLGIKKAITANISMGAAFLLIYASYALAFWYGTTLVLSGEYSIGQV
LTVFFSVLIGAFSVGQASPNIEAFANARGAAYEVFKIIDNKPSIDSFSKSGHKPDNIQGN
LEFKNIHFSYPSRKEVQILKGLNLKVKSGQTVALVGNSGAGKSTTVQLMQRLYDPLDGMV
SIDGQDIRTINVRYLREIIGVVSQEPVLFATTIAENIRYGREDVTMDEIEKAVKEANAYD
FIMKLPHQFDTLVGERGAQLSGGQKQRIAIARALVRNPKILLLDEATCALDTESEAVVQA
ALDKAREGRTTIVIAHRLSTVRNADVIAGFDGGVIVEQGNHDELMREKGIYFKLVMTQTA
GNEIELGNEAAKSKDEIDNLDMSSKDSGSSLIRRRSTRKSIAGPHDQDRKLSTKEALDED
VPPASFWRILKLNSTEWPYFVVGIFVAIINGGLQPAFSVIFSKIIGVFTRIDDPETKRQN
SNLFSLLFLILGIISFITFFLQGFTFGKAGEILTKRLRYMVFKSMLRQDVSWFDDPKNTT
GALTTRLANDAAQVKGATGSRLAVIFQNIANLGTGIIISFIYGWQLTLLLLAIVPIIAIA
GVVEMKMLSGQALKDKKELEGSGKIATEAIENFRTVVSLTREQKFETMYAQSLQIPYRNA
MKKAHVFGITFSFTQAMMYFSYAAAFRFGAYLVAHKLMSFEDVLLVFSAIVFGAMAVGQV
SSFAPDYAKATVSASHIIRIIEKTPEIDSYSTQGLKPNMLEGNVQFSGVVFNYPTRPSIP
VLQGLSLEVKKGQTLALVGSSGAGKSTVVQLLERFYDPMAGSVFLDGKEIKQLNVQWLRA
QLGIVSQEPILFDTSIAENIAYGDNSRVVSYEEIVRAAKEANIHQFIDSLPDKYNTRVGD
KGTQLSGGQKQRIAIARALVRQPHILLLDEATCALDTESEKVVQEALDKAREGRTTIVIA
HRLSTIQNADLIVVIQNGKVKEHGTHQQLLAQKGIYFSMVSVQAGAKRS

Sequence of entity 2 (B), FASTA

>6FN1_2 UIC2 Antigen Binding Fragment Light chain (chains B)
QVVMTQSPLSLPVSLGDQASISCRSSQSLLHSNGNTYLHWYLQKPGQSPKLLIYKVSNRF
SGVPDRFSGSGSGTDFTLKISRVEAEDLGVYFCSQSTHIPPWTFGGGTKLDIKRADAAPT
VSIFPPSSEQLTSGGLSVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYS
MSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC

Sequence of entity 3 (C), FASTA

>6FN1_3 UIC2 Antigen Binding Fragment Heavy Chain (chains C)
EVQLQESGPELVKTGASVKISCKASGYSFSNYYIHWVKQSHGKSLEWIGFISCYNGATFY
NQKFKGKATFTVDNSSSTAYMKFNSLTFEDSAVYYCARLPIQFGNFYPMDYWGQGTTVTV
SSAKTTAPSVYPLAPVCGDTTGSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPAVLQ
SDLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKIEPRGPT

Ligands and cofactors

ID	Name	Formula	Copies
ZQU	Zosuquidar	C32 H31 F2 N3 O2	2
NAG	2-acetamido-2-deoxy-beta-D-glucopyranose	C8 H15 N O6	3

Primary citation

Structure of a zosuquidar and UIC2-bound human-mouse chimeric ABCB1. Alam, A., Kung, R., Kowal, J. et al. Proc Natl Acad Sci U S A (2018) 115:E1973-E1982. DOI 10.1073/pnas.1717044115 · PubMed

Other PDB entries of the same protein (UniProt P08183 (AlphaFold model), which also has an AlphaFold model), best resolution first:

8Y6H 2.49 Å, P-glycoprotein in complex with UIC2 Fab and triple elacridar molecules in LMNG detergent
8Y6I 2.54 Å, P-glycoprotein in complex with UIC2 Fab and triple elacridar molecules in nanodisc
7A69 3.2 Å, Nanodisc reconstituted human ABCB1 in complex with MRK16 Fab and vincristine
6C0V 3.4 Å, Molecular structure of human P-glycoprotein in the ATP-bound, outward-facing conformation
9CTG 3.4 Å, SapNP Reconstituted Human ABCB1 bound to ATP gammaS
7A6F 3.5 Å, Nanodisc reconstituted human ABCB1 in complex with MRK16 Fab and zosuquidar
7O9W 3.5 Å, Encequidar-bound human P-glycoprotein in complex with UIC2-Fab
6QEX 3.6 Å, Nanodisc reconstituted human ABCB1 in complex with UIC2 fab and taxol
7A6C 3.6 Å, Nanodisc reconstituted human ABCB1 in complex with MRK16 Fab and elacridar
7A6E 3.6 Å, Nanodisc reconstituted human ABCB1 in complex with MRK16 Fab and tariquidar
9CTC 3.6 Å, SapNP reconstituted Human ABCB1 in complex with Zosuquidar and ATP/Mg
9CR8 3.8 Å, SapNP reconstituted human ABCB1

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