2ZUW

crystal structure of galacto-n-biose/lacto-n-biose i phosphorylase in complex with glcnac and sulfate

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 317
  • Norm. En. per Res.: -4.1828
• Hub Node: A(3)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-229.1848	-214.607	-882.164	-1325.9558	317	25	6	34553	30	103	109
A-C	-7.998	-7.4452	-71.529	-86.9722	86	3	0	4043	4	32	40
A-D	-27.661	20.2509	-48.3869	-55.797	48	3	2	2106	0	14	22
B-C	-9.8426	12.3762	-37.6941	-35.1605	32	1	2	1425	0	8	12
B-D	0.0	0.0	-0.0172	-0.0172	3	0	0	7	0	0	0
C-D	-199.8844	-195.9424	-881.303	-1277.1298	315	30	6	34503	29	101	107

Interface residues

• A-B: ALA144A, ALA144B, ALA145A, ALA145B, ALA266A, ALA266B, ALA270A, ALA270B, ALA459A, ALA459B, ALA461A, ALA461B, ALA513A, ALA513B, ALA531A, ALA531B, ALA548A, ALA548B, ALA560A, ALA560B, ALA83A, ALA83B, ARG118A, ARG118B, ARG226A, ARG226B, ARG227A, ARG227B, ARG272A, ARG272B, ARG275A, ARG275B, ARG530A, ARG530B, ARG534A, ARG534B, ARG550A, ARG550B, ARG555A, ARG555B, ARG569A, ARG569B, ARG608A, ARG608B, ARG80A, ARG80B, ASN268A, ASN268B, ASN464A, ASN464B, ASN522A, ASN522B, ASN634A, ASN634B, ASN639A, ASN639B, ASN641A, ASN641B, ASP117A, ASP117B, ASP223A, ASP223B, ASP232A, ASP232B, ASP263A, ASP263B, ASP511A, ASP511B, ASP518A, ASP518B, ASP561A, ASP561B, ASP566A, ASP566B, ASP576A, ASP576B, ASP648A, ASP648B, ASP79A, ASP79B, CYS614A, CYS614B, GLN466A, GLN466B, GLN552A, GLN552B, GLN558A, GLN558B, GLN571A, GLN571B, GLN618A, GLN618B, GLN651A, GLN651B, GLN653A, GLN653B, GLU122A, GLU122B, GLU148A, GLU148B, GLU224A, GLU224B, GLU228A, GLU228B, GLU259A, GLU259B, GLU527A, GLU527B, GLU544A, GLU544B, GLU567A, GLU567B, GLU568A, GLU568B, GLU630A, GLU630B, GLU640A, GLU640B, GLU84A, GLU84B, GLY121A, GLY121B, GLY235A, GLY235B, GLY264A, GLY264B, GLY265A, GLY265B, GLY508A, GLY508B, GLY516A, GLY516B, GLY517A, GLY517B, GLY535A, GLY535B, GLY554A, GLY554B, GLY613A, GLY613B, GLY615A, GLY615B, GLY616A, GLY616B, GLY617A, GLY617B, GLY649A, GLY649B, GLY650A, GLY650B, GLY660A, GLY660B, HIS147A, HIS147B, HIS460A, HIS460B, ILE81A, ILE81B, LEU220A, LEU220B, LEU221A, LEU221B, LEU462A, LEU462B, LEU525B, LEU559A, LEU559B, LEU573A, LEU573B, LEU611A, LEU611B, LEU633A, LEU633B, LEU77A, LEU77B, LEU82A, LEU82B, LYS225A, LYS225B, LYS229A, LYS229B, LYS465A, LYS465B, LYS524A, LYS524B, LYS577A, LYS577B, LYS661A, LYS661B, PHE218A, PHE218B, PHE222A, PHE222B, PHE234A, PHE234B, PHE456A, PHE456B, PHE514A, PHE514B, PHE551A, PHE551B, PHE556A, PHE556B, PHE557A, PHE557B, PHE579A, PHE579B, PRO463A, PRO463B, PRO509A, PRO509B, PRO523A, PRO523B, PRO549A, PRO549B, PRO580A, PRO580B, PRO581A, PRO581B, PRO610A, PRO610B, PRO631A, PRO631B, SER269A, SER269B, SER469A, SER469B, SER547A, SER547B, SER574A, SER574B, SER612A, SER612B, THR119A, THR119B, THR120A, THR120B, THR150A, THR150B, THR219A, THR219B, THR457A, THR457B, THR467A, THR467B, THR512A, THR512B, THR521A, THR521B, THR528A, THR528B, THR553A, THR553B, THR572A, THR572B, THR635A, THR635B, TRP146A, TRP146B, TRP233A, TRP233B, TRP271A, TRP271B, TRP520A, TRP520B, TRP532A, TRP532B, TYR149A, TYR149B, TYR165A, TYR165B, TYR267A, TYR267B, TYR468A, TYR468B, TYR470A, TYR470B, TYR570A, TYR570B, TYR578A, TYR578B, TYR636A, TYR636B, TYR659A, TYR659B, VAL116A, VAL116B, VAL230A, VAL230B, VAL231A, VAL231B, VAL262A, VAL262B, VAL273A, VAL273B, VAL458A, VAL458B, VAL510A, VAL510B, VAL519A, VAL519B, VAL526A, VAL526B, VAL529A, VAL529B, VAL533A, VAL533B, VAL562A, VAL562B, VAL575A, VAL575B, VAL632A, VAL632B, VAL638A, VAL638B, VAL652A, VAL652B
• A-C: ALA590C, ALA597A, ALA597C, ALA598A, ALA598C, ALA601A, ALA601C, ALA605C, ARG386A, ARG599C, ARG678C, ASN421A, ASN701A, ASN701C, ASN719A, ASP414A, ASP414C, ASP591A, ASP591C, ASP595A, ASP595C, ASP722A, ASP740A, ASP740C, ASP743A, ASP743C, GLN604C, GLN723A, GLN723C, GLN725C, GLU21A, GLU422A, GLU600A, GLU600C, GLU703C, GLY624C, GLY625C, GLY745A, GLY745C, HIS418A, HIS418C, ILE419A, ILE746A, ILE746C, LEU25A, LEU379A, LEU379C, LEU623C, LEU741A, LEU741C, LYS411A, LYS411C, LYS621A, LYS621C, LYS726A, LYS726C, PHE412A, PRO410A, PRO410C, PRO593A, PRO593C, PRO596A, PRO596C, PRO622C, PRO702A, PRO702C, PRO724A, PRO724C, PRO742A, PRO742C, SER375A, SER700A, SER700C, SER744A, THR415A, THR415C, THR417A, THR727A, THR727C, THR728C, TRP602C, VAL413A, VAL416A, VAL592C, VAL594A, VAL594C
• A-D: ALA16A, ALA42A, ALA597D, ALA598D, ALA601D, ARG599D, ARG646D, ASN14A, ASN372A, ASP366A, ASP595D, ASP627D, ASP648D, ASP722D, ASP743D, GLN723D, GLN725D, GLU12A, GLU13A, GLU17A, GLU370A, GLU600D, GLY371A, GLY624D, GLY625D, ILE376D, ILE626D, LEU405A, LEU623D, LYS18A, LYS20A, LYS408A, LYS411D, LYS621D, PHE15A, PHE368A, PHE409A, PRO365A, PRO593D, PRO596D, PRO622D, PRO724D, PRO742D, SER375D, THR367A, TRP602D, TYR369A, VAL594D
• B-C: ALA597B, ALA598B, ALA601B, ARG599B, ARG646B, ASN14C, ASN372C, ASP366C, ASP595B, ASP627B, ASP648B, GLU370C, GLU600B, GLY371C, GLY624B, GLY625B, ILE626B, LEU623B, LYS408C, LYS621B, PHE364C, PHE368C, PHE409C, PRO365C, PRO593B, PRO596B, PRO622B, PRO724B, THR367C, TRP602B, TYR369C, VAL594B
• B-D: GLN604B, GLN604D, ILE609B
• C-D: ALA144C, ALA144D, ALA145C, ALA145D, ALA266C, ALA266D, ALA270C, ALA270D, ALA459C, ALA459D, ALA461C, ALA461D, ALA513C, ALA513D, ALA531C, ALA531D, ALA548C, ALA548D, ALA560C, ALA560D, ALA83C, ALA83D, ARG118C, ARG118D, ARG226C, ARG226D, ARG227C, ARG227D, ARG272C, ARG272D, ARG275C, ARG275D, ARG530C, ARG530D, ARG534C, ARG534D, ARG550C, ARG550D, ARG555C, ARG555D, ARG569C, ARG569D, ARG608C, ARG608D, ARG80C, ARG80D, ASN268C, ASN268D, ASN464C, ASN464D, ASN522C, ASN522D, ASN634C, ASN634D, ASN639C, ASN639D, ASN641C, ASN641D, ASP117C, ASP117D, ASP223C, ASP223D, ASP232C, ASP232D, ASP263C, ASP263D, ASP366D, ASP511C, ASP511D, ASP518C, ASP518D, ASP561C, ASP561D, ASP566C, ASP566D, ASP576C, ASP576D, ASP648C, ASP648D, ASP79C, ASP79D, CYS614C, CYS614D, GLN466C, GLN466D, GLN552C, GLN552D, GLN558C, GLN558D, GLN571C, GLN571D, GLN618C, GLN618D, GLN651C, GLN651D, GLN653C, GLN653D, GLU122C, GLU122D, GLU148C, GLU148D, GLU224C, GLU224D, GLU228C, GLU228D, GLU259C, GLU259D, GLU527C, GLU527D, GLU544C, GLU544D, GLU567C, GLU567D, GLU568C, GLU568D, GLU630C, GLU630D, GLU640C, GLU640D, GLU84C, GLU84D, GLY121C, GLY121D, GLY235C, GLY235D, GLY264C, GLY264D, GLY265C, GLY265D, GLY508C, GLY508D, GLY516C, GLY516D, GLY517C, GLY517D, GLY535C, GLY535D, GLY554C, GLY554D, GLY613C, GLY613D, GLY615C, GLY615D, GLY616C, GLY616D, GLY617C, GLY617D, GLY629D, GLY649C, GLY649D, GLY650C, GLY650D, GLY660C, GLY660D, HIS147C, HIS147D, HIS460C, HIS460D, ILE609C, ILE81C, ILE81D, LEU220C, LEU220D, LEU221C, LEU221D, LEU462C, LEU462D, LEU559C, LEU559D, LEU573C, LEU573D, LEU611C, LEU611D, LEU633C, LEU633D, LEU77C, LEU77D, LEU82C, LEU82D, LYS225C, LYS225D, LYS229C, LYS229D, LYS465C, LYS465D, LYS524C, LYS524D, LYS577C, LYS577D, LYS661C, LYS661D, PHE218C, PHE218D, PHE222C, PHE222D, PHE234C, PHE234D, PHE456C, PHE456D, PHE514C, PHE514D, PHE551C, PHE551D, PHE556C, PHE556D, PHE557C, PHE557D, PHE579C, PHE579D, PRO463C, PRO463D, PRO509C, PRO509D, PRO523C, PRO523D, PRO549C, PRO549D, PRO580C, PRO580D, PRO610C, PRO610D, PRO631C, PRO631D, SER269C, SER269D, SER469C, SER469D, SER547C, SER547D, SER574C, SER574D, SER612C, SER612D, THR119C, THR119D, THR120C, THR120D, THR219C, THR219D, THR457C, THR457D, THR467C, THR467D, THR512C, THR512D, THR521C, THR521D, THR528C, THR528D, THR553C, THR553D, THR572C, THR572D, THR635C, THR635D, TRP146C, TRP146D, TRP233C, TRP233D, TRP271C, TRP271D, TRP520C, TRP520D, TRP532C, TRP532D, TYR149C, TYR149D, TYR165C, TYR165D, TYR267C, TYR267D, TYR468C, TYR468D, TYR470C, TYR470D, TYR570C, TYR570D, TYR578C, TYR578D, TYR636C, TYR636D, TYR659C, TYR659D, VAL116C, VAL116D, VAL230C, VAL230D, VAL231C, VAL231D, VAL262C, VAL262D, VAL273C, VAL273D, VAL458C, VAL458D, VAL510C, VAL510D, VAL519C, VAL519D, VAL526C, VAL526D, VAL529C, VAL529D, VAL533C, VAL533D, VAL562C, VAL562D, VAL575C, VAL575D, VAL632C, VAL632D, VAL638C, VAL638D, VAL652C, VAL652D