6HPS: Luciferin 4-monooxygenase

Near-infrared dual bioluminescence imaging in vivo using infra-luciferin. Determined by X-ray diffraction at 3.1 Å resolution. Released 23 Oct 2019.

Method: X-ray diffraction
Resolution: 3.1 Å
Organism: Photinus pyralis
Chains: 2
Atoms: 8,510
Mol. weight: 121.24 kDa
Ligands: GKH
Released: 23 Oct 2019

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

Secondary structure: helices and β-sheets

6HPS contains 48 α-helices and 66 β-strands across 2 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: 23 helices, 35 β-strands

Element	Residues	Length	Sheet
β-strand	8-9	2	1
α-helix	22-35	14
β-strand	40-44	5	2
β-strand	49-52	4	2
α-helix	53-70	18
β-strand	77-81	5	3
α-helix	89-98	10
β-strand	101-105	5	3
α-helix	111-121	11
β-strand	125-128	4	3
α-helix	133-139	7
α-helix	140-142	3
β-strand	148-151	4	3
β-strand	158	1	4
β-strand	161	1	4
β-strand	162-163	2	3
α-helix	164-169	6
α-helix	178-180	3
β-strand	192-197	6	3
β-strand	207-211	5	3
α-helix	212-223	12
β-strand	236-239	4	2
α-helix	246-258	13
β-strand	261-264	4	2
α-helix	270-279	10
β-strand	284-286	3	2
α-helix	289-291	3
α-helix	292-295	4
β-strand	311-314	4	2
α-helix	321-331	11
β-strand	337-338	2	2
β-strand	339-341	3	5
α-helix	343-345	3
β-strand	348-351	4	5
β-strand	363	1	1
β-strand	364-365	2	5
α-helix	366	1
β-strand	370-374	5	1
α-helix	380	1
β-strand	381	1	1
α-helix	382	1
β-strand	388-393	6	1
β-strand	400-401	2	3
α-helix	405-411	7
β-strand	412	1	1
β-strand	418-426	9	1
β-strand	432-437	6	1
β-strand	442-443	2	6
β-strand	448-449	2	6
α-helix	451-460	10
β-strand	464-472	9	7
β-strand	480-487	8	7
α-helix	495-505	11
α-helix	508-510	3
β-strand	515-518	4	7
β-strand	524	1	8
β-strand	530	1	8
α-helix	532-541	10

Chain B: 25 helices, 31 β-strands

Element	Residues	Length	Sheet
β-strand	8-9	2	9
α-helix	16-18	3
α-helix	22-34	13
β-strand	40-44	5	10
β-strand	49-52	4	10
α-helix	53-70	18
β-strand	77-81	5	11
α-helix	89-98	10
β-strand	101-105	5	11
α-helix	106	1
α-helix	111-121	11
β-strand	125-128	4	11
α-helix	133-140	8
β-strand	148-151	4	11
β-strand	163	1	11
α-helix	164-171	8
α-helix	173	1
α-helix	178-180	3
α-helix	183-185	3
β-strand	192-198	7	11
β-strand	206-211	6	11
α-helix	212-223	12
β-strand	236-239	4	10
α-helix	246-258	13
β-strand	261-264	4	10
α-helix	270-279	10
β-strand	284-286	3	10
α-helix	292-296	5
α-helix	301-303	3
β-strand	311-314	4	10
α-helix	321-331	11
β-strand	337-338	2	10
β-strand	339-340	2	12
α-helix	343-345	3
β-strand	350-351	2	12
α-helix	352-353	2
β-strand	363	1	9
β-strand	364-365	2	12
α-helix	366	1
β-strand	370-374	5	9
β-strand	381-382	2	9
β-strand	388-393	6	9
β-strand	400-401	2	11
α-helix	405-411	7
β-strand	412	1	9
β-strand	418-426	9	9
β-strand	432-437	6	9
β-strand	442-444	3	13
β-strand	447-449	3	13
α-helix	453-460	8
β-strand	464-472	9	14
β-strand	480-487	8	14
α-helix	495-505	11
β-strand	515-518	4	14
α-helix	532-539	8
α-helix	540-544	5

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Luciferin 4-monooxygenase	A, B	protein	543	Photinus pyralis	P08659 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>6HPS_1 Luciferin 4-monooxygenase (chains A, B)
AKNIKKGPAPFYPLEDGTAGEQLHKAMKRYALVPGTIAFTDAHIEVNITYAEYFEMSVRL
AEAMKRYGLNTNHRIVVCSENSLQFFMPVLGALFIGVAVAPANDIYNERELLNSMNISQP
TVVFVSKKGLQKILNVQKKLPIIQKIIIMDSKTDYQGFQSMYTFVTSHLPPGFNEYDFVP
ESFDRDKTIALIMNSSGSTGLPKGVALPHRTACVRFSHARDPIFGNQIIPDTAILSVVPF
HHGFGMFTTLGYLICGFRVVLMYRFEEELFLRSLQDYKIQSALLVPTLFSFFAKSTLIDK
YDLSNLHEIASGGAPLSKEVGEAVAKRFHLPGIRQGYGLTETTSAILITPEGDDKPGAVG
KVVPFFEAKVVDLDTGKTLGVNQRGELCVRGPMIMSGYVNNPEATNALIDKDGWLHSGDI
AYWDEDEHFFIVDRLKSLIKYKGYQVAPAELESILLQHPNIFDAGVAGLPDDDAGELPAA
VVVLEHGKTMTEKEIVDYVASQVTTAKKLRGGVVFVDEVPKGLTGKLDARKIREILIKAK
KGG

Ligands and cofactors

ID	Name	Formula	Copies
GKH	[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]m…	C23 H20 N8 O8 S3	2

Primary citation

Near-infrared dual bioluminescence imaging in mouse models of cancer using infraluciferin. Stowe, C.L., Burley, T.A., Allan, H. et al. Elife (2019) 8. DOI 10.7554/eLife.45801 · PubMed

Other PDB entries of the same protein (UniProt P08659 (AlphaFold model), which also has an AlphaFold model), best resolution first:

3RIX 1.7 Å, 1.7A resolution structure of a firefly luciferase-Aspulvinone J inhibitor complex
1LCI 2.0 Å, Firefly luciferase
3IES 2.0 Å, Firefly luciferase inhibitor complex
5GZ2 2.0 Å, luciferase complex with 7-cy-L
5KYT 2.0 Å, Structure of Photinus pyralis Luciferase red light emitting variant
3IER 2.05 Å, Firefly luciferase apo structure (P41 form) with PEG 400 bound
3IEP 2.1 Å, Firefly luciferase apo structure (P41 form)
1BA3 2.2 Å, Firefly luciferase in complex with bromoform
4E5D 2.2 Å, 2.2A resolution structure of a firefly luciferase-benzothiazole inhibitor complex
5DWV 2.3 Å, Crystal structure of the Luciferase complexed with substrate analogue
4G37 2.4 Å, Structure of cross-linked firefly luciferase in second catalytic conformation
5DV9 2.4 Å, Crystal structure of the Luciferase

Browse structure collections

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