2024-07-20_00000070|ligand|8PUJ

The surface-exposed lipo-protein of BtuG2 in complex with cyanocobalamin.; X-ray diffraction 1.70Å
Protein #1 322 residues (100% resolved)

ATGDGLFIMNEGNFQYGNATLSYYDPETKKVENEIFYRANAMKLGDVAQSMIVRDTIGWVVVNNSHVIFAISTNTFKEVGRITGLTSPRYIHFISDEKAYITQIWDYRIFIVNPKTYQITGYIECPDMTMETGSTEQMVQYGKYVYVNCWSYQNRILKIDTTTDKVVDQLTVGIQPTSLVMDKNFKMWTITDGGYKGSPYGYEEPSLYRIDAETFKIEKQFKFQLGDAPSEVQLNGAGDELYWINKDIWRMSVDEERVPVRPFLKYRDTKYYGLTVSPKNGDVYVADAIDYQQQGMIYRYTEDGELVDEFYVGIIPGAFCWK

ATGDGLFIMNEGNFQYGNATLSYYDPETKKVENEIFYRANAMKLGDVAQSMIVRDTIGWVVVNNSHVIFAISTNTFKEVGRITGLTSPRYIHFISDEKAYITQIWDYRIFIVNPKTYQITGYIECPDMTMETGSTEQMVQYGKYVYVNCWSYQNRILKIDTTTDKVVDQLTVGIQPTSLVMDKNFKMWTITDGGYKGSPYGYEEPSLYRIDAETFKIEKQFKFQLGDAPSEVQLNGAGDELYWINKDIWRMSVDEERVPVRPFLKYRDTKYYGLTVSPKNGDVYVADAIDYQQQGMIYRYTEDGELVDEFYVGIIPGAFCWK
Non polymer #2 CBY

InChI=1S/C48H73N11O8.Co/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43;/h19,23,26-29,43,60H,10-18,20-22H2,1-9H3,(H14,49,50,51,52,53,54,55,56,57,58,59,61,62,63,64,65,66,67);/q;+2/p-1/t23-,26-,27-,28-,29+,43-,45-,46+,47+,48+;/m1./s1

CC1=C2[C@@]([C@@H](C3=[N]2[Co+2]45[N-]6[C@H]([C@@H]([C@@](C6=C(C7=[N]4C(=C3)C([C@@H]7CCC(=O)N)(C)C)C)(C)CCC(=O)NC[C@@H](C)O)CC(=O)N)[C@@]8([N]5=C1[C@H]([C@]8(C)CC(=O)N)CCC(=O)N)C)CCC(=O)N)(C)CC(=O)N
Non polymer #3 NA

InChI=1S/Na/q+1

[Na+]
Non polymer #4 OH

InChI=1S/H2O/h1H2/p-1

[OH-]
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Reference