Detail Information

P450 Protein:

P450 Symbol	NzeB
Protein Name	NzeB
Uniprot ID	A0A8I3B043
Species	Streptomyces sp. NRRL F-5053
Txid	1463854
P450 Protein Structure	Go to AlphaFold Website Model Confidence (pLDDT) Very high (>90) High (90 > 70) Low (70 > 50) Very low (<50) Powered by PDBe Molstar & AlphaFold
Subcellular Location
Protein Sequence	GO

Reaction Scheme:

Chemical Conversion	C16H17N3O2 + C21H26N7O17P3-4 + O2 + H+ → C32H32N6O4 + C21H25N7O17P3-3 + H2O
Reaction Type	Oxidation
Chemical Bond
Solvents	Water
Conditions	1 h, 30°C

(3S,8aS)-3-(1H-indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

NADPH(4-)

H+

NzeB

(1R,4S,10S,12S)-12-[3-[[(3S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1H-indol-6-yl]-2,8,19-triazapentacyclo[10.7.0.02,10.04,8.013,18]nonadeca-13,15,17-triene-3,9-dione

NADP+

H2O

Substrate Information:

Substrate Name	(3S,8aS)-3-(1H-indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Substrate Chemical Formula	C16H17N3O2
Substrate PubChem CID	181567
Substrate Smiles	C1C[C@H]2C(=O)N[C@H](C(=O)N2C1)CC3=CNC4=CC=CC=C43
Substrate Structure	Download SDF

Substrate Name	NADPH(4-)
Substrate Chemical Formula	C21H26N7O17P3-4
Substrate PubChem CID	15983949
Substrate Smiles	C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)([O-])[O-])O)O)O
Substrate Structure	Download SDF

Substrate Name	O2
Substrate Chemical Formula	O2
Substrate PubChem CID	977
Substrate CAS Number	7782-44-7
Substrate Smiles	O=O
Substrate Structure	Download SDF

Substrate Name	H+
Substrate Chemical Formula	H+
Substrate PubChem CID	1038
Substrate CAS Number	12408-02-5
Substrate Smiles	[H+]
Substrate Structure	Download SDF

Product Information:

Product Name	(1R,4S,10S,12S)-12-[3-[[(3S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1H-indol-6-yl]-2,8,19-triazapentacyclo[10.7.0.02,10.04,8.013,18]nonadeca-13,15,17-triene-3,9-dione
Product Chemical Formula	C32H32N6O4
Product PubChem CID	71665426
Product CAS Number	1179325-42-8
Product Smiles	C1C[C@H]2C(=O)N3[C@@H](C[C@]4([C@@H]3NC5=CC=CC=C54)C6=CC7=C(C=C6)C(=CN7)C[C@H]8C(=O)N9CCC[C@H]9C(=O)N8)C(=O)N2C1
Product Structure	Download SDF

Product Name	NADP+
Product Chemical Formula	C21H25N7O17P3-3
Product PubChem CID	162422398
Product Smiles	C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)OP(=O)([O-])[O-])O)O)C(=O)N
Product Structure	Download SDF

Product Name	H2O
Product Chemical Formula	H2O
Product PubChem CID	962
Product CAS Number	7732-18-5
Product Smiles	O
Product Structure	Download SDF

References:

Title:	Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase.
PMID:	32786740
Journal:	Journal of the American Chemical Society
Year:	2020/10/14