2024-08-31_00000162|ligand|8VI8

Engineered glutamine binding protein and a cobaloxime ligand - no GLN bound; X-ray diffraction 3.21Å

Protein #1 229 residues (99% resolved)

Raw Sequence ...

SNAADKKLVVATDTAFVPFEFKQGDIYVGFDVDLWAAIAKELKLDYELKPMDFSGIIPALQTKNVDLALAGITICDERKKAIDFSDGYYKSGLLVMVKANNNDVKSVKDLDGKVVAVKSGTGSVDYAKANIKTKDLRQFPNIDNAYMELGTNRADAVLHDTPNILYFIKTAGNGQFKAVGDSLEAQQYGIAFPKGSDELRDKVNGALKTLRENGTYNEIYKKWFGTEPK

Canonical Sequence ...

Non polymer #2 NA

InChI=1S/Na/q+1

SMILES: [Na+]

[Na+]

Non polymer #3 X5Z

InChI=1S/C7H7N.2C4H8N2O2.Co.N3/c1-2-7-3-5-8-6-4-7;21-3(5-7)4(2)6-8;;1-3-2/h2-6H,1H2;27-8H,1-2H3;;/q;2-2;+6;-1/b;24-3-;;

InChI=1S/C7H7N.2C4H8N2O2.Co.N3/c1-2-7-3-5-8-6-4-7;2*1-3(5-7)4(2)6-8;;1-3-2/h2-6H,1H2;2*7-8H,1-2H3;;/q;2*-2;+6;-1/b;2*4-3-;;

SMILES: CC1=C(N([Co]2(N1O)(N(C(=C(N2O)C)C)O)(N=[N+]=[N-])[n+]3ccc(cc3)C=C)O)C

CC1=C(N([Co]2(N1O)(N(C(=C(N2O)C)C)O)(N=[N+]=[N-])[n+]3ccc(cc3)C=C)O)C

Reference