PRD_000723

PYOVERDIN C-E Fe Complex

PRD_000723 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 2W16.

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Chemical Component Summary
Name	PYOVERDIN C-E Fe Complex
Identifiers	n/a
Formula	C₅₅ H₈₂ Fe N₁₇ O₂₂
Molecular Weight	1,389.185
Type	PEPTIDE-LIKE
Isomeric SMILES	C[C@H]([C@H]1C(=O)[NH2+]CCCC[C@H]2C(=O)N[C@@H](CCCN3C=O[Fe+3]456(O3)O=CN(O4)CCC[C@@H](C(=O)N2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H]7CCNc8[n+]7c9cc(c(cc9cc8NC(=O)CCC(=O)O)O5)O6)CO)CCCNC(=[NH2+])N)CO)C(=O)N[C@H](C(=O)N1)[C@@H](C)O)O
InChI	InChI=1S/C55H81N17O22.Fe/c1-27(77)43-53(91)59-15-4-3-8-30(46(84)63-33(11-7-19-71(94)26-76)49(87)68-44(28(2)78)54(92)69-43)62-47(85)32(10-6-18-70(93)25-75)65-50(88)35(23-73)66-48(86)31(9-5-16-60-55(56)57)64-51(89)36(24-74)67-52(90)37-14-17-58-45-34(61-41(81)12-13-42(82)83)20-29-21-39(79)40(80)22-38(29)72(37)45;/h20-22,25-28,30-33,35-37,43-44,73-74,77-78H,3-19,23-24H2,1-2H3,(H17,56,57,58,59,60,61,62,63,64,65,66,67,68,69,79,80,81,82,83,84,85,86,87,88,89,90,91,92);/q-2;+7/p+1
InChIKey	REEJEWYDVJJOLS-UHFFFAOYSA-O
Composition	Polymer Sequences: DSN-ARG-DSN-FHO-LYS-FHO-THR-THR
BIRD class	METAL TRANSPORT
Represented As	POLYMER
Compound Details	n/a
Description	n/a

Chemical Details
Formal Charge	0
Atom Count	177
Chiral Atom Count	11
Bond Count	185
Aromatic Bond Count	11

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), 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.