Structure of PDB 7zay Chain A Binding Site BS01

Receptor Information

>7zay Chain A (length=566) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

NSSIYKGKKCRMESCFDFTLCKKNGFKVYVYPQQKGEKIAESYQNILAAI
EGSRFYTSDPSQACLFVLSLDTLDRDQLSPQYVHNLRSKVQSLHLWNNGR
NHLIFNLYSGTWPDYTEDVGFDIGQAMLAKASISTENFRPNFDVSIPLFS
KDHPRTGGERGFLKFNTIPPLRKYMLVFKGKRYLTGIGSDTRNALYHVHN
GEDVVLLTTCRCDRDNTEYEKYDYREMLHNATFCLVPRGRRLGSFRFLEA
LQAACVPVMLSNGWELPFSEVINWNQAAVIGDERLLLQIPSTIRSIHQDK
ILALRQQTQFLWEAYFSSVEKIVLTTLEIIQDRIFKHISRNSLIWNKHPG
GLFVLPQYSSYLGDFPYYYANLGLKPPSKFTAVIHVLKLLVAAAKSQYCA
QIIMSSRFLPYDNIITDAVLSLDEDTVLSTTEVDFAFTVWQSFPERIVGY
PARSHFWDNSKERWGYTSKWTNDYSMVLTGAAIYHKYYHYLYSHYLPASL
KNMVDQLANCEDILMNFLVSAVTKLPPIKVTQKKQFAQRQSCMNTFASWF
GYMPLIHSQMRLDPVL

Ligand information

Ligand ID

UDP

InChI

InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1

InChIKey

XCCTYIAWTASOJW-XVFCMESISA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.0	C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.370	O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
CACTVS 3.370	O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.7.0	C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O
ACDLabs 12.01	O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O

Formula

C9 H14 N2 O12 P2

Name

URIDINE-5'-DIPHOSPHATE

PDB chain

7zay Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	7zay Structure of the human heparan sulfate polymerase complex EXT1-EXT2.
Resolution	2.8 Å
Binding residue (original residue number in PDB)	K269 Y271 R280 Y319 Y324 F345 R346 E349
Binding residue (residue number reindexed from 1)	K181 Y183 R192 Y219 Y224 F245 R246 E249
Annotation score	3

Enzymatic activity

Enzyme Commision number

2.4.1.225: N-acetylglucosaminyl-proteoglycan 4-beta-glucuronosyltransferase.

Gene Ontology

	Molecular Function
GO:0005515	protein binding
GO:0008375	acetylglucosaminyltransferase activity
GO:0015020	glucuronosyltransferase activity
GO:0016757	glycosyltransferase activity
GO:0042328	heparan sulfate N-acetylglucosaminyltransferase activity
GO:0042803	protein homodimerization activity
GO:0046872	metal ion binding
GO:0046982	protein heterodimerization activity
GO:0050508	glucuronosyl-N-acetylglucosaminyl-proteoglycan 4-alpha-N-acetylglucosaminyltransferase activity
GO:0050509	N-acetylglucosaminyl-proteoglycan 4-beta-glucuronosyltransferase activity

	Biological Process
GO:0000271	polysaccharide biosynthetic process
GO:0000902	cell morphogenesis
GO:0001503	ossification
GO:0001958	endochondral ossification
GO:0001974	blood vessel remodeling
GO:0002062	chondrocyte differentiation
GO:0002067	glandular epithelial cell differentiation
GO:0002244	hematopoietic progenitor cell differentiation
GO:0002524	hypersensitivity
GO:0003128	heart field specification
GO:0003415	chondrocyte hypertrophy
GO:0003416	endochondral bone growth
GO:0006024	glycosaminoglycan biosynthetic process
GO:0006486	protein glycosylation
GO:0007033	vacuole organization
GO:0007155	cell adhesion
GO:0007166	cell surface receptor signaling pathway
GO:0007224	smoothened signaling pathway
GO:0007369	gastrulation
GO:0007411	axon guidance
GO:0007420	brain development
GO:0007492	endoderm development
GO:0007498	mesoderm development
GO:0008217	regulation of blood pressure
GO:0008283	cell population proliferation
GO:0008543	fibroblast growth factor receptor signaling pathway
GO:0009615	response to virus
GO:0009642	response to light intensity
GO:0010467	gene expression
GO:0010803	regulation of tumor necrosis factor-mediated signaling pathway
GO:0014033	neural crest cell differentiation
GO:0015012	heparan sulfate proteoglycan biosynthetic process
GO:0015014	heparan sulfate proteoglycan biosynthetic process, polysaccharide chain biosynthetic process
GO:0017145	stem cell division
GO:0019882	antigen processing and presentation
GO:0021554	optic nerve development
GO:0021772	olfactory bulb development
GO:0022405	hair cycle process
GO:0030163	protein catabolic process
GO:0030166	proteoglycan biosynthetic process
GO:0030199	collagen fibril organization
GO:0030202	heparin metabolic process
GO:0030204	chondroitin sulfate metabolic process
GO:0030210	heparin biosynthetic process
GO:0030509	BMP signaling pathway
GO:0031069	hair follicle morphogenesis
GO:0031175	neuron projection development
GO:0032836	glomerular basement membrane development
GO:0033627	cell adhesion mediated by integrin
GO:0035176	social behavior
GO:0035249	synaptic transmission, glutamatergic
GO:0035264	multicellular organism growth
GO:0035988	chondrocyte proliferation
GO:0036022	limb joint morphogenesis
GO:0036336	dendritic cell migration
GO:0036339	lymphocyte adhesion to endothelial cell of high endothelial venule
GO:0042044	fluid transport
GO:0042060	wound healing
GO:0042311	vasodilation
GO:0042596	fear response
GO:0043931	ossification involved in bone maturation
GO:0044344	cellular response to fibroblast growth factor stimulus
GO:0045165	cell fate commitment
GO:0045453	bone resorption
GO:0048598	embryonic morphogenesis
GO:0048733	sebaceous gland development
GO:0050891	multicellular organismal-level water homeostasis
GO:0050901	leukocyte tethering or rolling
GO:0051923	sulfation
GO:0055078	sodium ion homeostasis
GO:0060047	heart contraction
GO:0060070	canonical Wnt signaling pathway
GO:0060218	hematopoietic stem cell differentiation
GO:0060349	bone morphogenesis
GO:0060350	endochondral bone morphogenesis
GO:0060351	cartilage development involved in endochondral bone morphogenesis
GO:0060429	epithelium development
GO:0060441	epithelial tube branching involved in lung morphogenesis
GO:0060485	mesenchyme development
GO:0060506	smoothened signaling pathway involved in lung development
GO:0060560	developmental growth involved in morphogenesis
GO:0060792	sweat gland development
GO:0061484	hematopoietic stem cell homeostasis
GO:0061744	motor behavior
GO:0061974	perichondral bone morphogenesis
GO:0062094	stomach development
GO:0065003	protein-containing complex assembly
GO:0070593	dendrite self-avoidance
GO:0070848	response to growth factor
GO:0071503	response to heparin
GO:0071625	vocalization behavior
GO:0071711	basement membrane organization
GO:0071773	cellular response to BMP stimulus
GO:0072112	podocyte differentiation
GO:0072498	embryonic skeletal joint development
GO:0097021	lymphocyte migration into lymphoid organs
GO:0097241	hematopoietic stem cell migration to bone marrow
GO:0098586	cellular response to virus
GO:0098868	bone growth
GO:0120193	tight junction organization
GO:1901706	mesenchymal cell differentiation involved in bone development
GO:1904888	cranial skeletal system development
GO:1990823	response to leukemia inhibitory factor

	Cellular Component
GO:0000139	Golgi membrane
GO:0005783	endoplasmic reticulum
GO:0005789	endoplasmic reticulum membrane
GO:0005794	Golgi apparatus
GO:0016020	membrane
GO:0045202	synapse
GO:1902494	catalytic complex

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Molecular Function

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Biological Process

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Cellular Component

External links

PDB	RCSB:7zay, PDBe:7zay, PDBj:7zay
PDBsum	7zay
PubMed	36402845
UniProt	Q16394\|EXT1_HUMAN Exostosin-1 (Gene Name=EXT1)

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