9CR8: SapNP reconstituted human ABCB1

SapNP reconstituted human ABCB1. Determined by electron microscopy at 3.8 Å resolution. Released 22 Jan 2025.

Method: Electron microscopy
Resolution: 3.8 Å
Organism: Homo sapiens
Chains: 1
Atoms: 8,664
Mol. weight: 148.83 kDa
Ligands: UPL
Released: 22 Jan 2025

Explore 9CR8 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

9CR8 contains 44 α-helices and 36 β-strands across 1 chain. 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: 44 helices, 36 β-strands

Element	Residues	Length	Sheet
α-helix	45-62	18
α-helix	65-80	16
α-helix	107-155	49
α-helix	160-163	4
α-helix	168-185	18
α-helix	188-209	22
α-helix	212-221	10
α-helix	224-240	17
α-helix	244-259	16
α-helix	261-267	7
α-helix	270-314	45
α-helix	330-344	15
α-helix	345-347	3
α-helix	349-370	22
α-helix	371-373	3
β-strand	383	1	1
β-strand	393-397	5	2
β-strand	398	1	3
β-strand	399-400	2	2
β-strand	408-416	9	2
β-strand	422-426	5	4
β-strand	428	1	5
β-strand	431	1	5
α-helix	435-440	6
β-strand	448	1	3
β-strand	451-453	3	2
β-strand	456-457	2	2
α-helix	458-460	3
β-strand	461	1	1
α-helix	463-466	4
α-helix	467-469	3
β-strand	470	1	4
α-helix	484-489	6
α-helix	497-505	9
α-helix	510-515	6
α-helix	533-547	15
β-strand	551-552	2	4
β-strand	555	1	6
α-helix	566-577	12
β-strand	581-583	3	4
β-strand	585	1	6
β-strand	586	1	4
β-strand	597-600	4	4
β-strand	602	1	7
β-strand	605	1	7
α-helix	700-702	3
α-helix	708-735	28
α-helix	736-738	3
α-helix	753-798	46
α-helix	801-805	5
α-helix	811-819	9
α-helix	826-853	28
α-helix	856-889	34
α-helix	892-902	11
α-helix	904-910	7
α-helix	913-964	52
α-helix	971-993	23
α-helix	1000-1011	12
β-strand	1026	1	8
β-strand	1035-1039	5	9
β-strand	1040	1	10
β-strand	1041	1	9
β-strand	1056	1	10
β-strand	1059	1	9
β-strand	1065-1067	3	11
α-helix	1079-1083	5
β-strand	1091-1096	6	9
β-strand	1099-1100	2	9
β-strand	1104	1	8
α-helix	1106-1110	5
β-strand	1114-1116	3	11
β-strand	1126	1	12
α-helix	1127-1132	6
α-helix	1142-1151	10
α-helix	1155-1160	6
β-strand	1168	1	12
α-helix	1178-1192	15
β-strand	1196-1199	4	11
α-helix	1211-1221	11
β-strand	1226-1229	4	11

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
ATP-dependent translocase ABCB1	A	protein	1280	Homo sapiens	P08183 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>9CR8_1 ATP-dependent translocase ABCB1 (chains A)
MDLEGDRNGGAKKKNFFKLNNKSEKDKKEKKPTVSVFSMFRYSNWLDKLYMVVGTLAAII
HGAGLPLMMLVFGEMTDIFANAGNLEDLMSNITNRSDINDTGFFMNLEEDMTRYAYYYSG
IGAGVLVAAYIQVSFWCLAAGRQIHKIRKQFFHAIMRQEIGWFDVHDVGELNTRLTDDVS
KINEGIGDKIGMFFQSMATFFTGFIVGFTRGWKLTLVILAISPVLGLSAAVWAKILSSFT
DKELLAYAKAGAVAEEVLAAIRTVIAFGGQKKELERYNKNLEEAKRIGIKKAITANISIG
AAFLLIYASYALAFWYGTTLVLSGEYSIGQVLTVFFSVLIGAFSVGQASPSIEAFANARG
AAYEIFKIIDNKPSIDSYSKSGHKPDNIKGNLEFRNVHFSYPSRKEVKILKGLNLKVQSG
QTVALVGNSGCGKSTTVQLMQRLYDPTEGMVSVDGQDIRTINVRFLREIIGVVSQEPVLF
ATTIAENIRYGRENVTMDEIEKAVKEANAYDFIMKLPHKFDTLVGERGAQLSGGQKQRIA
IARALVRNPKILLLDEATSALDTESEAVVQVALDKARKGRTTIVIAHRLSTVRNADVIAG
FDDGVIVEKGNHDELMKEKGIYFKLVTMQTAGNEVELENAADESKSEIDALEMSSNDSRS
SLIRKRSTRRSVRGSQAQDRKLSTKEALDESIPPVSFWRIMKLNLTEWPYFVVGVFCAII
NGGLQPAFAIIFSKIIGVFTRIDDPETKRQNSNLFSLLFLALGIISFITFFLQGFTFGKA
GEILTKRLRYMVFRSMLRQDVSWFDDPKNTTGALTTRLANDAAQVKGAIGSRLAVITQNI
ANLGTGIIISFIYGWQLTLLLLAIVPIIAIAGVVEMKMLSGQALKDKKELEGSGKIATEA
IENFRTVVSLTQEQKFEHMYAQSLQVPYRNSLRKAHIFGITFSFTQAMMYFSYAGCFRFG
AYLVAHKLMSFEDVLLVFSAVVFGAMAVGQVSSFAPDYAKAKISAAHIIMIIEKTPLIDS
YSTEGLMPNTLEGNVTFGEVVFNYPTRPDIPVLQGLSLEVKKGQTLALVGSSGCGKSTVV
QLLERFYDPLAGKVLLDGKEIKRLNVQWLRAHLGIVSQEPILFDCSIAENIAYGDNSRVV
SQEEIVRAAKEANIHAFIESLPNKYSTKVGDKGTQLSGGQKQRIAIARALVRQPHILLLD
EATSALDTESEKVVQEALDKAREGRTCIVIAHRLSTIQNADLIVVFQNGRVKEHGTHQQL
LAQKGIYFSMVSVQAGTKRQ

Ligands and cofactors

ID	Name	Formula	Copies
UPL	Unknown branched fragment of phospholipid	C34 H70	15

Primary citation

Structural insights into binding-site access and ligand recognition by human ABCB1. Kurre, D., Dang, P.X., Le, L.T.M. et al. EMBO J (2025) 44:991-1006. DOI 10.1038/s44318-025-00361-z · 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
6FN1 3.58 Å, Zosuquidar and UIC2 Fab complex of human-mouse chimeric ABCB1 (ABCB1HM)
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

Browse structure collections

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