Crystal structure of human sepiapterin reductase in complex with sulfasalazine
Groenlund Pedersen, M., Pojer, F., Johnsson, K.To be published.
Experimental Data Snapshot
Starting Model: experimental
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Entity ID: 1 | |||||
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Molecule | Chains | Sequence Length | Organism | Details | Image |
Sepiapterin reductase | A, B, C [auth F], D [auth J] | 288 | Homo sapiens | Mutation(s): 0  Gene Names: SPR EC: 1.1.1.153 | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P35270 (Homo sapiens) Explore P35270  Go to UniProtKB:  P35270 | |||||
PHAROS:  P35270 GTEx:  ENSG00000116096  | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P35270 | ||||
Sequence AnnotationsExpand | |||||
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Ligands 5 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
NAP Query on NAP | E [auth A], L [auth B], R [auth F], Y [auth J] | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE C21 H28 N7 O17 P3 XJLXINKUBYWONI-NNYOXOHSSA-N | |||
SAS Query on SAS | BA [auth J], J [auth A], O [auth B], V [auth F] | 2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID C18 H14 N4 O5 S NCEXYHBECQHGNR-QZQOTICOSA-N | |||
PEG Query on PEG | CA [auth J] DA [auth J] K [auth A] Q [auth B] W [auth F] | DI(HYDROXYETHYL)ETHER C4 H10 O3 MTHSVFCYNBDYFN-UHFFFAOYSA-N | |||
SO4 Query on SO4 | F [auth A] G [auth A] H [auth A] I [auth A] M [auth B] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L | |||
GOL Query on GOL | AA [auth J], U [auth F] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |
Length ( Å ) | Angle ( ˚ ) |
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a = 149.194 | α = 90 |
b = 149.194 | β = 90 |
c = 180.552 | γ = 120 |
Software Name | Purpose |
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XDS | data scaling |
PHASER | phasing |
REFMAC | refinement |
XDS | data reduction |
SCALA | data scaling |