1PK0: EF3-CaM

Crystal Structure of the EF3-CaM complexed with PMEApp. Determined by X-ray diffraction at 3.3 Å resolution. Released 10 Feb 2004.

Method: X-ray diffraction
Resolution: 3.3 Å
Organisms: Bacillus anthracis, Homo sapiens
Chains: 6
Atoms: 15,344
Mol. weight: 227.15 kDa
Ligands: CA, EMA, YB
Released: 10 Feb 2004

Explore 1PK0 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

1PK0 contains 98 α-helices and 81 β-strands across 6 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: 26 helices, 23 β-strands

Element	Residues	Length	Sheet
β-strand	296-297	2	1
α-helix	298-305	8
α-helix	309-321	13
β-strand	324-328	5	1
α-helix	333-340	8
α-helix	343	1
β-strand	344-345	2	2
α-helix	346	1
α-helix	352-354	3
β-strand	363	1	2
β-strand	365	1	3
α-helix	368-370	3
α-helix	377-392	16
β-strand	398-402	5	3
β-strand	404	1	4
α-helix	407-416	10
β-strand	420-426	7	5
β-strand	431-436	6	5
β-strand	442-447	6	5
β-strand	452	1	4
β-strand	453-457	5	5
α-helix	458	1
β-strand	472-473	2	5
β-strand	475-481	7	3
β-strand	484-487	4	3
β-strand	488-489	2	2
β-strand	494-499	6	1
β-strand	500	1	6
α-helix	501-505	5
α-helix	510-517	8
α-helix	523-533	11
α-helix	534-538	5
β-strand	541-542	2	7
β-strand	548-549	2	7
α-helix	551-566	16
α-helix	580-582	3
β-strand	594-596	3	1
β-strand	602-604	3	1
α-helix	608-618	11
β-strand	624	1	6
α-helix	648-653	6
α-helix	657-659	3
α-helix	660-668	9
α-helix	696-704	9
α-helix	707-711	5
α-helix	714-736	23
α-helix	743-765	23
α-helix	774-777	4
α-helix	789-796	8

Chain B: 19 helices, 23 β-strands

Element	Residues	Length	Sheet
β-strand	296-297	2	8
α-helix	299-305	7
α-helix	309-321	13
β-strand	324-328	5	8
α-helix	333-340	8
β-strand	344-345	2	9
α-helix	352-354	3
β-strand	363	1	9
β-strand	365	1	10
α-helix	368-370	3
α-helix	377-392	16
β-strand	398-402	5	10
β-strand	404	1	11
α-helix	407-415	9
β-strand	420-426	7	12
β-strand	431-436	6	12
β-strand	442-447	6	12
β-strand	452	1	11
β-strand	453-457	5	12
α-helix	458	1
β-strand	472-473	2	12
β-strand	475-481	7	10
β-strand	484-487	4	10
β-strand	488-489	2	9
β-strand	494-499	6	8
β-strand	500	1	13
α-helix	501-507	7
α-helix	510-517	8
α-helix	528-533	6
α-helix	534-538	5
β-strand	541	1	14
β-strand	549	1	14
α-helix	551-565	15
α-helix	580-582	3
β-strand	594-596	3	8
β-strand	602-604	3	8
α-helix	608-618	11
β-strand	624	1	13
α-helix	648-651	4
α-helix	714-729	16
α-helix	743-765	23
α-helix	786-796	11

Chain C: 29 helices, 23 β-strands

Element	Residues	Length	Sheet
β-strand	296-297	2	15
α-helix	298-305	8
α-helix	309-321	13
β-strand	324-328	5	15
α-helix	333-340	8
α-helix	343	1
β-strand	344-345	2	16
α-helix	346	1
α-helix	352-354	3
β-strand	363	1	16
β-strand	365	1	17
α-helix	368-370	3
α-helix	377-392	16
β-strand	398-402	5	17
β-strand	404	1	18
α-helix	407-416	10
β-strand	420-426	7	19
β-strand	431-436	6	19
β-strand	442-447	6	19
β-strand	452	1	18
β-strand	453-457	5	19
α-helix	458	1
β-strand	472-473	2	19
β-strand	475-481	7	17
β-strand	484-487	4	17
β-strand	488-489	2	16
β-strand	494-499	6	15
β-strand	500	1	20
α-helix	501-505	5
α-helix	514-517	4
α-helix	523-533	11
α-helix	534-538	5
β-strand	541-542	2	21
β-strand	548-549	2	21
α-helix	551-566	16
α-helix	580-582	3
β-strand	594-596	3	15
β-strand	602-604	3	15
α-helix	608-615	8
α-helix	616-620	5
β-strand	624	1	20
α-helix	648-651	4
α-helix	657-659	3
α-helix	661-664	4
α-helix	666-669	4
α-helix	670-672	3
α-helix	696-704	9
α-helix	707-711	5
α-helix	714-738	25
α-helix	743-767	25
α-helix	774-777	4
α-helix	789-796	8

Chains D and E: 8 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	6-16	11
β-strand	27	1	22
α-helix	29-38	10
α-helix	47-50	4
β-strand	63	1	22
α-helix	65-75	11
α-helix	82-92	11
β-strand	99-100	2	23
α-helix	102-110	9
α-helix	118-128	11
β-strand	136-137	2	23
α-helix	138-146	9

Chain F: 8 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	6-16	11
β-strand	27	1	26
α-helix	29-38	10
α-helix	47-50	4
β-strand	63	1	26
α-helix	65-75	11
α-helix	82-92	11
β-strand	99-100	2	27
α-helix	102-110	9
α-helix	118-128	11
β-strand	136-137	2	27
α-helix	138-145	8

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Calmodulin-sensitive adenylate cyclase	A, B, C	protein	507	Bacillus anthracis	P40136 (AlphaFold model)
Calmodulin	D, E, F	protein	147	Homo sapiens	P0DP23 (AlphaFold model)

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

>1PK0_1 Calmodulin-sensitive adenylate cyclase (chains A, B, C)
RIDVLKGEKALKASGLVPEHADAFKKIARELNTYILFRPVNKLATNLIKSGVATKGLNVH
GKSSDWGPVAGYIPFDQDLSKKHGQQLAVEKGNLENKKSITEHEGEIGKIPLKLDHLRIE
ELKENGIILKGKKEIDNGKKYYLLESNNQVYEFRISDENNEVQYKTKEGKITVLGEKFNW
RNIEVMAKNVEGVLKPLTADYDLFALAPSLTEIKKQIPQKEWDKVVNTPNSLEKQKGVTN
LLIKYGIERKPDSTKGTLSNWQKQMLDRLNEAVKYTGYTGGDVVNHGTEQDNEEFPEKDN
EIFIINPEGEFILTKNWEMTGRFIEKNITGKDYLYYFNRSYNKIAPGNKAYIEWTDPITK
AKINTIPTSAEFIKNLSSIRRSSNVGVYKDSGDKDEFAKKESVKKIAGYLSDYYNSANHI
FSQEKKRKISIFRGIQAYNEIENVLKSKQIAPEYKNYFQYLKERITNQVQLLLTHQKSNI
EFKLLYKQLNFTENETDNFEVFQKIID

Sequence of entity 2 (D, E, F), FASTA

>1PK0_2 Calmodulin (chains D, E, F)
ADQLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMINEVDADGN
GTIDFPEFLTMMARKMKDTDSEEEIREAFRVFDKDGNGYISAAELRHVMTNLGEKLTDEE
VDEMIREADIDGDGQVNYEEFVQMMTA

Ligands and cofactors

ID	Name	Formula	Copies
CA	Calcium ion	Ca	6
EMA	(adenin-9-yl-ethoxymethyl)-hydroxyphosphinyl-diphosphate	C8 H14 N5 O10 P3	3
YB	Ytterbium (III) ion	Yb	3

Primary citation

Selective inhibition of anthrax edema factor by adefovir, a drug for chronic hepatitis B virus infection. Shen, Y., Zhukovskaya, N.L., Zimmer, M.I. et al. Proc Natl Acad Sci U S A (2004) 101:3242-3247. DOI 10.1073/pnas.0306552101 · PubMed

Other PDB entries of the same protein (UniProt P40136 (AlphaFold model), which also has an AlphaFold model), best resolution first:

1K8T 2.6 Å, Crystal structure of the adenylyl cyclase domain of anthrax edema factor (EF)
1K90 2.75 Å, Crystal structure of the adenylyl cyclase domain of anthrax edema factor (EF) in complex…
1K93 2.95 Å, Crystal structure of the adenylyl cyclase domain of anthrax edema factor (EF) in complex…
1S26 3.0 Å, Structure of Anthrax Edema Factor-Calmodulin-alpha,beta-methyleneadenosine…
1SK6 3.2 Å, Crystal structure of the adenylyl cyclase domain of anthrax edema factor (EF) in complex…
1XFX 3.2 Å, Crystal structure of anthrax edema factor (EF) in complex with calmodulin in the…
6UZB 3.2 Å, Anthrax toxin protective antigen channels bound to edema factor
1XFZ 3.25 Å, Crystal structure of anthrax edema factor (EF) in complex with calmodulin in the…
1XFY 3.3 Å, Crystal structure of anthrax edema factor (EF) in complex with calmodulin
6VRA 3.3 Å, Anthrax octamer prechannel bound to full-length edema factor
1XFU 3.35 Å, Crystal structure of anthrax edema factor (EF) truncation mutant, EF-delta 64 in complex…
1XFV 3.35 Å, Crystal structure of anthrax edema factor (EF) in complex with calmodulin and 3' deoxy-ATP

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