2AWN: ADP-Mg-bound E. Coli MALK

Crystal structure of the ADP-Mg-bound E. Coli MALK (Crystallized with ATP-Mg). Determined by X-ray diffraction at 2.3 Å resolution. Released 13 Dec 2005.

Method: X-ray diffraction
Resolution: 2.3 Å
Organism: Escherichia coli
Chains: 4
Atoms: 10,669
Mol. weight: 170.54 kDa
Ligands: MG, ADP
Released: 13 Dec 2005

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

Secondary structure: helices and β-sheets

2AWN contains 47 α-helices and 102 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, 26 β-strands

Element	Residues	Length	Sheet
β-strand	4-13	10	1
β-strand	16-26	11	1
β-strand	31-35	5	2
α-helix	42-50	9
β-strand	57-62	6	1
α-helix	72-74	3
β-strand	77-80	4	2
α-helix	109-120	12
α-helix	144-149	6
β-strand	154-158	5	2
α-helix	166-182	17
β-strand	186-191	6	2
α-helix	194-200	7
β-strand	203-208	6	2
β-strand	211-216	6	2
α-helix	218-223	6
β-strand	227	1	3
α-helix	228-233	6
α-helix	238-239	2
β-strand	240-248	9	4
β-strand	254-257	4	4
β-strand	265-268	4	4
β-strand	270	1	5
β-strand	280-285	6	4
α-helix	287-289	3
β-strand	291	1	6
β-strand	299-309	11	6
β-strand	313-319	7	6
β-strand	321	1	7
β-strand	323	1	7
α-helix	326	1
β-strand	327-332	6	6
β-strand	342-346	5	6
α-helix	349-351	3
β-strand	353-355	3	4
β-strand	360	1	3
β-strand	361	1	4
β-strand	364	1	5

Chain B: 14 helices, 25 β-strands

Element	Residues	Length	Sheet
β-strand	4-13	10	8
β-strand	16-26	11	8
β-strand	31-35	5	9
α-helix	42-50	9
β-strand	57-62	6	8
β-strand	65-66	2	8
α-helix	72-74	3
β-strand	77-81	5	9
α-helix	84-87	4
α-helix	92-102	11
α-helix	107-120	14
α-helix	131-133	3
α-helix	136-150	15
β-strand	154-158	5	9
α-helix	166-183	18
β-strand	186-191	6	9
α-helix	194-200	7
β-strand	203-208	6	9
β-strand	211-216	6	9
α-helix	218-223	6
β-strand	227	1	10
α-helix	228-233	6
β-strand	240-250	11	11
β-strand	253-257	5	11
β-strand	265-268	4	11
β-strand	270	1	12
β-strand	280-285	6	11
α-helix	287-289	3
β-strand	291	1	13
β-strand	299-309	11	13
β-strand	313-319	7	13
β-strand	328-332	5	13
β-strand	342-346	5	13
α-helix	349-351	3
β-strand	353-355	3	11
β-strand	360	1	10
β-strand	361	1	11
β-strand	364	1	12
α-helix	367-368	2

Chain C: 13 helices, 23 β-strands

Element	Residues	Length	Sheet
β-strand	5	1	14
β-strand	25	1	14
α-helix	26-27	2
β-strand	31-35	5	15
α-helix	43-46	4
β-strand	77-80	4	15
α-helix	92-97	6
α-helix	109-120	12
α-helix	131-133	3
α-helix	136-150	15
β-strand	154-158	5	15
α-helix	160-162	3
α-helix	166-181	16
β-strand	186-191	6	15
α-helix	194-200	7
β-strand	203-208	6	15
β-strand	211-216	6	15
α-helix	218-223	6
β-strand	227	1	16
α-helix	228-233	6
β-strand	240-250	11	17
β-strand	253-257	5	17
β-strand	265-268	4	17
β-strand	270	1	18
β-strand	280-285	6	17
α-helix	287-289	3
β-strand	291	1	19
β-strand	299-309	11	19
β-strand	313-319	7	19
β-strand	327-332	6	19
β-strand	342-346	5	19
α-helix	349-351	3
β-strand	353-355	3	17
β-strand	360	1	16
β-strand	361	1	17
β-strand	364	1	18

Chain D: 8 helices, 28 β-strands

Element	Residues	Length	Sheet
β-strand	4-9	6	20
β-strand	10	1	21
β-strand	11-13	3	20
β-strand	16-26	11	20
α-helix	27	1
β-strand	31-35	5	22
α-helix	42-50	9
β-strand	56	1	21
β-strand	59-62	4	20
β-strand	65-66	2	20
β-strand	77-79	3	22
β-strand	154-158	5	22
α-helix	166-178	13
β-strand	186-191	6	22
α-helix	194-200	7
β-strand	203-208	6	22
β-strand	211-216	6	22
α-helix	218-223	6
β-strand	227	1	23
α-helix	228-233	6
β-strand	240-250	11	24
β-strand	253-257	5	24
β-strand	265-268	4	24
β-strand	270	1	25
β-strand	280-285	6	24
α-helix	287-289	3
β-strand	291	1	26
β-strand	299-309	11	26
β-strand	313-319	7	26
β-strand	327-332	6	26
β-strand	342-346	5	26
α-helix	349-351	3
β-strand	353-355	3	24
β-strand	360	1	23
β-strand	361	1	24
β-strand	364	1	25

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Maltose/maltodextrin import ATP-binding protein malK	A, B, C, D	protein	381	Escherichia coli	P68187 (AlphaFold model)

Sequence of entity 1 (A, B, C, D), FASTA

>2AWN_1 Maltose/maltodextrin import ATP-binding protein malK (chains A, B, C, D)
MASVQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDL
FIGEKRMNDTPPAERGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEV
LQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLH
KRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYHYPADRFVAGFIGSPKMN
FLPVKVTATAIDQVQVELPMPNRQQVWLPVESRDVQVGANMSLGIRPEHLLPSDIADVIL
EGEVQVVEQLGNETQIHIQIPSIRQNLVYRQNDVVLVEEGATFAIGLPPERCHLFREDGT
ACRRLHKEPGVASASHHHHHH

Ligands and cofactors

ID	Name	Formula	Copies
MG	Magnesium ion	Mg	4
ADP	Adenosine-5'-diphosphate	C10 H15 N5 O10 P2	4

Primary citation

ATP hydrolysis is required to reset the ATP-binding cassette dimer into the resting-state conformation. Lu, G., Westbrooks, J.M., Davidson, A.L. et al. Proc Natl Acad Sci U S A (2005) 102:17969-17974. DOI 10.1073/pnas.0506039102 · PubMed

Other PDB entries of the same protein (UniProt P68187 (AlphaFold model), which also has an AlphaFold model), best resolution first:

3RLF 2.2 Å, Crystal structure of the maltose-binding protein/maltose transporter complex in an…
3PUW 2.3 Å, Crystal Structure of an outward-facing MBP-Maltose transporter complex bound to ADP-AlF4
3PUX 2.3 Å, Crystal Structure of an outward-facing MBP-Maltose transporter complex bound to ADP-BeF3
4KI0 2.38 Å, Crystal structure of the maltose-binding protein/maltose transporter complex in an…
3PUV 2.4 Å, Crystal Structure of an outward-facing MBP-Maltose transporter complex bound to ADP-VO4
1Q12 2.6 Å, Crystal Structure of the ATP-bound E. coli MalK
3GD7 2.7 Å, Crystal structure of human NBD2 complexed with N6-Phenylethyl-ATP (P-ATP)
1Q1B 2.8 Å, Crystal structure of E. coli MalK in the nucleotide-free form
2AWO 2.8 Å, Crystal structure of the ADP-Mg-bound E. Coli MALK (Crystallized with ADP-Mg)
1Q1E 2.9 Å, The ATPase component of E. coli maltose transporter (MalK) in the nucleotide-free form
3PUZ 2.9 Å, Crystal Structure of a pre-translocation state MBP-Maltose transporter complex bound to…
4KHZ 2.9 Å, Crystal structure of the maltose-binding protein/maltose transporter complex in an…

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