1T2A

crystal structure of human gdp-d-mannose 4,6-dehydratase

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 119
  • Norm. En. per Res.: -3.1968
• 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	-4.9292	-75.5926	-299.898	-380.4198	119	5	14	12194	6	18	30
A-C	0.0	12.3166	-26.1171	-13.8005	38	0	0	1803	0	10	17
A-D	-72.329	55.7738	-237.813	-254.3683	134	8	4	10866	2	42	51
B-C	-52.2606	69.1951	-254.445	-237.5105	134	7	6	11318	1	43	50
B-D	0.0	8.9908	-33.3489	-24.3581	38	1	0	2261	0	11	18
C-D	-7.9146	-76.7455	-291.239	-375.899	119	13	16	12508	4	18	30

Interface residues

• A-B: ALA121A, ALA121B, ALA125A, ALA125B, ALA181A, ALA181B, ALA182A, ALA182B, ALA186A, ALA186B, ALA196A, ALA196B, ARG134A, ARG134B, ARG176A, ARG176B, ARG194A, ARG194B, ARG325A, ARG325B, ASN192A, ASN192B, ASN198A, ASN198B, ASP119A, ASP119B, ASP126A, ASP126B, ASP128A, ASP128B, ASP137A, ASP137B, ASP270A, ASP270B, ASP89A, GLN163A, GLN163B, GLU122A, GLU122B, GLU195A, GLU195B, GLU328A, GLU328B, GLY129A, GLY129B, GLY131A, GLY131B, GLY180A, GLY180B, ILE189A, ILE189B, LEU120A, LEU120B, LEU133A, LEU133B, LEU158A, LEU158B, LEU184A, LEU184B, LYS115A, LYS115B, LYS140A, LYS140B, LYS161A, LYS161B, LYS183A, LYS183B, PHE118A, PHE118B, PHE173A, PHE173B, PHE193A, PHE193B, PRO172A, PRO172B, PRO175A, PRO175B, PRO178A, PRO178B, PRO326A, PRO326B, SER117A, SER117B, SER177A, SER177B, SER90A, SER90B, THR124A, THR124B, THR170A, THR170B, THR171A, THR171B, THR327A, THR327B, THR88A, THR88B, TRP188A, TRP188B, TYR123A, TYR123B, TYR174A, TYR174B, TYR179A, TYR179B, TYR185A, TYR185B, TYR187A, TYR187B, TYR197A, TYR197B, VAL130A, VAL130B, VAL190A, VAL190B, VAL191A, VAL191B, VAL329A, VAL329B
• A-C: ALA138A, ALA138C, ARG134A, ARG134C, ASN98A, ASN98C, ASP137A, ASP137C, ASP89A, ASP89C, CYS142A, CYS142C, CYS92A, CYS92C, GLU122A, GLU122C, LEU133A, LEU133C, LEU136A, LEU136C, LYS140A, LYS140C, LYS95A, LYS95C, PHE193A, PHE193C, SER90A, SER90C, THR141A, THR141C, THR88A, THR88C, THR91A, THR91C, TYR197A, TYR197C, VAL94A, VAL94C
• A-D: ALA110A, ALA110D, ALA121A, ALA121D, ALA125A, ALA125D, ALA216A, ALA216D, ARG134A, ARG134D, ARG213A, ARG213D, ARG214A, ARG214D, ARG221A, ARG221D, ARG225A, ARG225D, ARG55A, ARG55D, ARG56A, ARG56D, ARG64A, ARG64D, ASN217A, ASN217D, ASN61A, ASN61D, ASP119A, ASP119D, ASP126A, ASP126D, ASP128A, ASP128D, ASP35A, ASP35D, ASP86A, ASP86D, ASP89A, ASP89D, CYS92A, CYS92D, GLN111A, GLN111D, GLN34A, GLN34D, GLU122A, GLU122D, GLU66D, GLU99D, GLY109A, GLY109D, GLY215A, GLY215D, GLY30A, GLY30D, GLY33A, GLY33D, GLY63A, GLY63D, GLY85A, GLY85D, HIS113A, HIS113D, HIS83D, ILE116A, ILE116D, ILE31A, ILE31D, ILE53A, ILE53D, ILE65A, ILE96A, ILE96D, LEU120A, LEU120D, LEU87A, LEU87D, LEU93A, LEU93D, LYS115A, LYS115D, LYS322A, LYS322D, LYS81A, LYS81D, LYS95A, LYS95D, PHE118A, PHE118D, PHE218A, PHE218D, PHE60A, PHE60D, PRO178A, SER112A, SER112D, SER117A, SER117D, SER57A, SER57D, SER58A, SER58D, SER59A, SER59D, SER90A, SER90D, THR124A, THR124D, THR32A, THR32D, THR368A, THR368D, THR62A, THR62D, THR88A, THR88D, THR91A, THR91D, TYR123A, TYR123D, TYR179A, TYR179D, TYR323A, TYR323D, TYR69D, TYR84A, TYR84D, VAL114A, VAL114D, VAL127A, VAL127D, VAL54A, VAL54D
• B-C: ALA110B, ALA110C, ALA121B, ALA121C, ALA125B, ALA125C, ALA216B, ALA216C, ARG134B, ARG134C, ARG213B, ARG213C, ARG214B, ARG214C, ARG221B, ARG221C, ARG225B, ARG225C, ARG55B, ARG55C, ARG56B, ARG56C, ARG64B, ARG64C, ASN217B, ASN217C, ASN61B, ASN61C, ASP119B, ASP119C, ASP126B, ASP126C, ASP128B, ASP128C, ASP35B, ASP35C, ASP86B, ASP86C, ASP89B, ASP89C, CYS92B, CYS92C, GLN111B, GLN111C, GLN34B, GLN34C, GLU122B, GLU122C, GLU66B, GLU99B, GLY109B, GLY109C, GLY215B, GLY215C, GLY30B, GLY30C, GLY33B, GLY33C, GLY63B, GLY63C, GLY85B, GLY85C, HIS113B, HIS113C, HIS83B, HIS83C, ILE116B, ILE116C, ILE31B, ILE31C, ILE53B, ILE53C, ILE65B, ILE96B, ILE96C, LEU120B, LEU120C, LEU87B, LEU87C, LEU93B, LEU93C, LYS115B, LYS115C, LYS229C, LYS322B, LYS322C, LYS81B, LYS81C, LYS95B, LYS95C, PHE118B, PHE118C, PHE218B, PHE218C, PHE60B, PHE60C, PRO178C, SER112B, SER112C, SER117B, SER117C, SER57B, SER57C, SER58B, SER58C, SER59B, SER59C, SER90B, SER90C, THR124B, THR124C, THR32B, THR32C, THR62B, THR62C, THR88B, THR88C, THR91B, THR91C, TYR123B, TYR123C, TYR179B, TYR179C, TYR323B, TYR323C, TYR69B, TYR84B, TYR84C, VAL114B, VAL114C, VAL127B, VAL127C, VAL54B, VAL54C
• B-D: ALA138B, ALA138D, ARG134B, ARG134D, ASN98B, ASN98D, ASP137B, ASP137D, ASP89B, ASP89D, CYS142B, CYS142D, CYS92B, CYS92D, GLU122B, GLU122D, LEU133B, LEU133D, LEU136B, LEU136D, LYS140B, LYS140D, LYS95B, LYS95D, PHE193B, PHE193D, SER90B, SER90D, THR141B, THR141D, THR88B, THR88D, THR91B, THR91D, TYR197B, TYR197D, VAL94B, VAL94D
• C-D: ALA121C, ALA121D, ALA125C, ALA125D, ALA181C, ALA181D, ALA182C, ALA182D, ALA186C, ALA186D, ALA196C, ALA196D, ARG134C, ARG134D, ARG176C, ARG176D, ARG194C, ARG194D, ARG325C, ARG325D, ASN192C, ASN192D, ASN198C, ASN198D, ASP119C, ASP119D, ASP126C, ASP126D, ASP128C, ASP128D, ASP137C, ASP137D, ASP89C, GLN163C, GLN163D, GLU122C, GLU122D, GLU195C, GLU195D, GLU328C, GLU328D, GLY129C, GLY129D, GLY131C, GLY131D, GLY180C, GLY180D, ILE189C, ILE189D, LEU120C, LEU120D, LEU133C, LEU133D, LEU158C, LEU158D, LEU184C, LEU184D, LYS115D, LYS140C, LYS140D, LYS161C, LYS161D, LYS183C, LYS183D, PHE118C, PHE118D, PHE173C, PHE173D, PHE193C, PHE193D, PRO172C, PRO172D, PRO175C, PRO175D, PRO178C, PRO178D, PRO326C, PRO326D, SER117C, SER117D, SER177C, SER177D, SER90C, SER90D, THR124C, THR124D, THR170C, THR170D, THR171C, THR171D, THR327C, THR327D, THR88C, THR88D, TRP188C, TRP188D, TYR123C, TYR123D, TYR174C, TYR174D, TYR179C, TYR179D, TYR185C, TYR185D, TYR187C, TYR187D, TYR197C, TYR197D, VAL114D, VAL127C, VAL127D, VAL130C, VAL130D, VAL190C, VAL190D, VAL191C, VAL191D, VAL329C, VAL329D