2026-01-10_00000370|ligand|9P4D

Crystal Structure of Engineered glutamine binding protein and a Gd-DOTA ligand - Gln bound; X-ray diffraction 2.57Å

Protein #1 229 residues (100% resolved)

Raw Sequence ...

SNAADKKLVVATDTAFVPFEFKQGDIYVGFDVDLWAAIAKELKLDYELKPMDFSGIIPALQTKNVDLALAGITICDERKKAIDFSDGYYKSGLLVMVKANNNDVKSVKDLDGKVVAVKSGTGSVDYAKANIKTKDLRQFPNIDNAYMELGTNRADAVLHDTPNILYFIKTAGNGQFKAVGDSLEAQQYGIAFPKGSDELRDKVNGALKTLRENGTYNEIYKKWFGTEPK

Canonical Sequence ...

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)

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

SMILES: CC(=O)[O-]

CC(=O)[O-]

Non polymer #4 GD3

InChI=1S/Gd/q+3

SMILES: [Gd+3]

[Gd+3]

Non polymer #5 GLN

InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1

SMILES: C(CC(=O)N)[C@@H](C(=O)O)N

C(CC(=O)N)[C@@H](C(=O)O)N

Reference