PRD_000728

Synthetic PYOVERDINE Fe Complex

PRD_000728 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 2W6T.

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Chemical Component Summary
Name	Synthetic PYOVERDINE Fe Complex
Identifiers	n/a
Formula	C₅₆ H₈₁ Fe N₁₇ O₂₄
Molecular Weight	1,432.187
Type	PEPTIDE-LIKE
Isomeric SMILES	c1c2cc3c4cc2[n+]5c(c1NC(=O)CCC(=O)O)NCC[C@H]5C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H]6CCCN7C=O[Fe+3]8(O3)(O4)(O7)O=CN(O8)CCC[C@@H]9C(=O)N[C@H](C(=O)NCCC[C@@H](C(=O)N9)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](NC6=O)CO)CO)CO)CCCC[NH3+])CO
InChI	InChI=1S/C56H81N17O24.Fe/c57-13-2-1-6-30(65-54(93)38(26-77)70-56(95)39-12-15-58-47-34(64-43(82)10-11-46(85)86)18-29-19-41(80)42(81)20-40(29)73(39)47)48(87)60-21-44(83)63-32(8-4-16-71(96)27-78)52(91)69-37(25-76)55(94)68-36(24-75)50(89)61-22-45(84)62-31-7-3-14-59-49(88)35(23-74)67-53(92)33(66-51(31)90)9-5-17-72(97)28-79;/h18-20,27-28,30-33,35-39,74-77H,1-17,21-26,57H2,(H15,58,59,60,61,62,63,64,65,66,67,68,69,70,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95);/q-2;+7
InChIKey	JWTJSISARVZWST-UHFFFAOYSA-N
Composition	Polymer Sequences: DSN-LYS-GLY-FHO-SER-DSN-GLY-ORN-FH7-SER
BIRD class	METAL TRANSPORT
Represented As	POLYMER
Compound Details	n/a
Description	n/a

Chemical Details
Formal Charge	0
Atom Count	179
Chiral Atom Count	9
Bond Count	187
Aromatic Bond Count	11

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM133198.