2026-01-10_00000371
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ligand
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9P4E
Crystal Structure of Engineered glutamine binding protein and a Gd-DOTA ligand - no GLN bound;
X-ray diffraction 2.02Å
Protein #1
229 residues (98% resolved)
Raw Sequence ...
SNAADKKLVVATDTAFVPFEFKQGDIYVGFDVDLWAAIAKELKLDYELKPMDFSGIIPALQTKNVDLALAGITICDERKKAIDFSDGYYKSGLLVMVKANNNDVKSVKDLDGKVVAVKSGTGSVDYAKANIKTKDLRQFPNIDNAYMELGTNRADAVLHDTPNILYFIKTAGNGQFKAVGDSLEAQQYGIAFPKGSDELRDKVNGALKTLRENGTYNEIYKKWFGTEPK
Canonical Sequence ...
SNAADKKLVVATDTAFVPFEFKQGDIYVGFDVDLWAAIAKELKLDYELKPMDFSGIIPALQTKNVDLALAGITICDERKKAIDFSDGYYKSGLLVMVKANNNDVKSVKDLDGKVVAVKSGTGSVDYAKANIKTKDLRQFPNIDNAYMELGTNRADAVLHDTPNILYFIKTAGNGQFKAVGDSLEAQQYGIAFPKGSDELRDKVNGALKTLRENGTYNEIYKKWFGTEPK
Non polymer #2
A1C21
InChI=1S/C22H38N6O10/c29-17(1-2-19(31)32)23-3-4-24-18(30)13-25-5-7-26(14-20(33)34)9-11-28(16-22(37)38)12-10-27(8-6-25)15-21(35)36/h1-16H2,(H,23,29)(H,24,30)(H,31,32)(H,33,34)(H,35,36)(H,37,38)
InChI=1S/C22H38N6O10/c29-17(1-2-19(31)32)23-3-4-24-18(30)13-25-5-7-26(14-20(33)34)9-11-28(16-22(37)38)12-10-27(8-6-25)15-21(35)36/h1-16H2,(H,23,29)(H,24,30)(H,31,32)(H,33,34)(H,35,36)(H,37,38)
SMILES: C1CN(CCN(CCN(CCN1CC(=O)NCCNC(=O)CCC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O
C1CN(CCN(CCN(CCN1CC(=O)NCCNC(=O)CCC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O
Non polymer #3
ACT
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
SMILES: CC(=O)[O-]
CC(=O)[O-]
Non polymer #4
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Non polymer #5
GD3
InChI=1S/Gd/q+3
InChI=1S/Gd/q+3
SMILES: [Gd+3]
[Gd+3]
Biounit #1
homo-trimer
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Model
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