3COG

crystal structure of human cystathionase (cystathionine gamma lyase) in complex with dl-propargylglycine

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 67
  • Norm. En. per Res.: -5.8751
• 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	-97.1228	24.3737	-575.014	-647.7632	210	29	26	23940	0	29	28
A-C	-107.3477	-41.7888	-244.498	-393.6345	67	11	9	10087	4	5	4
A-D	-117.475	-170.222	-442.938	-730.635	144	24	11	17040	12	94	67
B-C	-115.6202	-155.0632	-431.727	-702.4105	142	20	11	16577	11	92	68
B-D	-97.6184	-29.3657	-252.765	-379.7491	71	12	9	10396	2	6	6
C-D	-72.9628	40.1632	-658.341	-691.1406	237	24	25	28077	0	32	33

Interface residues

• A-B: ALA103A, ALA103B, ALA125A, ALA125B, ALA210A, ALA210B, ALA245A, ALA245B, ALA325A, ALA338A, ALA338B, ALA348A, ALA348B, ALA352A, ALA357A, ALA51B, ALA88A, ALA88B, ALA92A, ALA92B, ALA93A, ALA93B, ARG119A, ARG119B, ARG122A, ARG122B, ARG375A, ARG62B, ARG68A, ARG68B, ASN215A, ASN215B, ASN241A, ASN241B, ASN65A, ASN65B, ASP105A, ASP105B, ASP219A, ASP219B, ASP251A, ASP251B, CYS252A, CYS252B, GLN123A, GLN123B, GLN240A, GLN240B, GLN49A, GLN49B, GLN54B, GLU127A, GLU127B, GLU326A, GLU339A, GLU339B, GLU345A, GLU345B, GLU349A, GLU349B, GLU59B, GLY104A, GLY104B, GLY115A, GLY116A, GLY116B, GLY129A, GLY129B, GLY216A, GLY216B, GLY244A, GLY244B, GLY342B, GLY343A, GLY343B, GLY50B, GLY53B, GLY64B, GLY90A, GLY90B, HIS217A, HIS217B, HIS99A, HIS99B, ILE107A, ILE107B, ILE250A, ILE250B, ILE327A, ILE353A, ILE374A, ILE41A, ILE41B, ILE97A, ILE97B, LEU100A, LEU100B, LEU101A, LEU101B, LEU130A, LEU130B, LEU239A, LEU239B, LEU243A, LEU243B, LEU254A, LEU254B, LEU322A, LEU329A, LEU329B, LEU332A, LEU337A, LEU337B, LEU341A, LEU341B, LEU347A, LEU347B, LEU350A, LEU350B, LEU43A, LEU43B, LEU91A, LEU91B, LYS102A, LYS102B, LYS212A, LYS212B, LYS330A, LYS333A, LYS333B, LYS48A, LYS48B, MET222A, MET222B, MET354A, PHE121A, PHE121B, PHE128A, PHE128B, PHE238A, PHE238B, PHE335A, PHE335B, PHE344A, PHE344B, PHE47A, PHE47B, PHE58B, PHE87A, PHE87B, PRO247A, PRO247B, PRO249A, PRO249B, PRO351A, PRO52B, SER126A, SER126B, SER209A, SER218A, SER218B, SER242A, SER242B, SER248A, SER248B, SER340A, SER340B, SER358A, SER42A, SER42B, SER44A, SER44B, SER61B, SER63B, SER89A, SER89B, THR117A, THR117B, THR211A, THR211B, THR336A, THR336B, THR355A, THR45A, THR45B, THR46A, THR46B, THR94A, THR94B, THR96A, THR96B, THR98A, THR98B, TYR114A, TYR114B, TYR120A, TYR120B, TYR253A, TYR253B, TYR60B, VAL124A, VAL124B, VAL220A, VAL220B, VAL221A, VAL221B, VAL246A, VAL246B, VAL95A, VAL95B
• A-C: ALA36A, ALA36C, ARG257A, ARG257C, ARG35A, ARG35C, ASN65A, ASN65C, ASP28A, ASP28C, GLN27C, GLN31A, GLN31C, GLN49A, GLN49C, GLN54C, GLU30A, GLU30C, GLU59C, GLY50C, GLY57C, GLY64A, ILE250A, ILE250C, ILE41A, ILE41C, LEU254A, LEU254C, LEU43A, LEU43C, LYS48A, LYS48C, PHE47A, PHE47C, PHE58C, PRO249A, PRO249C, PRO29A, PRO29C, PRO39A, PRO39C, PRO40A, PRO40C, PRO66A, PRO66C, SER34A, SER34C, SER42A, SER42C, SER44A, SER44C, THR33A, THR33C, THR45A, THR45C, THR46A, THR46C, THR67A, THR67C, TRP32A, TRP32C, TYR253A, TYR253C, VAL37A, VAL37C, VAL38A, VAL38C
• A-D: ALA19A, ALA19D, ALA22A, ALA22D, ALA338A, ALA338D, ALA36A, ALA36D, ARG257A, ARG257D, ARG265A, ARG265D, ARG35A, ARG35D, ASN215A, ASN215D, ASN256A, ASN256D, ASN272A, ASN272D, ASP219A, ASP219D, ASP251A, ASP251D, ASP28A, ASP28D, ASP382A, ASP382D, ASP385A, ASP385D, CYS255A, CYS255D, GLN16A, GLN16D, GLN21A, GLN21D, GLN27A, GLN27D, GLU267A, GLU267D, GLU30A, GLU30D, GLU339A, GLU339D, GLU345A, GLU345D, GLU381A, GLU381D, GLU383A, GLU383D, GLU384A, GLU384D, GLU388A, GLU388D, GLY216A, GLY216D, GLY258A, GLY258D, GLY343A, GLY343D, GLY379A, GLY379D, HIS14A, HIS14D, HIS17A, HIS17D, HIS217A, HIS217D, HIS24A, HIS24D, HIS263A, HIS263D, HIS269A, HIS269D, ILE23A, ILE23D, ILE250A, ILE250D, ILE41A, ILE41D, LEU254A, LEU254D, LEU259A, LEU259D, LEU262A, LEU262D, LEU334A, LEU334D, LEU337A, LEU337D, LEU347A, LEU347D, LEU380A, LEU380D, LEU386A, LEU386D, LYS260A, LYS260D, LYS268A, LYS268D, LYS271A, LYS271D, LYS333A, LYS333D, MET214A, MET214D, MET266A, MET266D, PHE15A, PHE15D, PHE18A, PHE18D, PHE335A, PHE335D, PHE344A, PHE344D, PRO29A, PRO29D, PRO39A, PRO39D, SER218A, SER218D, SER340A, SER340D, SER346A, SER346D, THR20A, THR20D, THR261A, THR261D, THR336A, THR336D, TYR194A, TYR194D, TYR253A, TYR253D, VAL220A, VAL220D, VAL264A, VAL264D, VAL37A, VAL37D, VAL38A, VAL38D
• B-C: ALA19B, ALA19C, ALA22B, ALA22C, ALA338B, ALA338C, ALA36B, ALA36C, ARG257B, ARG257C, ARG265B, ARG265C, ARG35B, ARG35C, ASN215B, ASN215C, ASN256B, ASN256C, ASN272B, ASN272C, ASP219B, ASP219C, ASP251B, ASP251C, ASP28C, ASP382B, ASP382C, ASP385B, ASP385C, CYS255B, CYS255C, GLN16B, GLN16C, GLN21B, GLN21C, GLN27B, GLN27C, GLU267B, GLU267C, GLU30C, GLU339B, GLU339C, GLU345B, GLU345C, GLU381B, GLU381C, GLU383B, GLU383C, GLU384B, GLU384C, GLU388B, GLU388C, GLY216B, GLY216C, GLY258B, GLY258C, GLY343B, GLY343C, GLY379B, GLY379C, HIS14B, HIS14C, HIS17B, HIS17C, HIS217B, HIS217C, HIS24B, HIS24C, HIS263B, HIS263C, HIS269B, HIS269C, ILE23B, ILE23C, ILE250B, ILE250C, ILE41B, ILE41C, LEU254B, LEU254C, LEU259B, LEU259C, LEU262B, LEU262C, LEU334B, LEU334C, LEU337B, LEU337C, LEU347B, LEU347C, LEU380B, LEU380C, LEU386B, LEU386C, LYS260B, LYS260C, LYS268B, LYS268C, LYS271B, LYS271C, LYS333B, LYS333C, MET214B, MET214C, MET266B, MET266C, PHE15B, PHE15C, PHE18B, PHE18C, PHE335B, PHE335C, PHE344B, PHE344C, PRO29B, PRO29C, PRO39B, PRO39C, SER218B, SER218C, SER340B, SER340C, SER346B, SER346C, THR20B, THR20C, THR261B, THR261C, THR336B, THR336C, TYR194B, TYR194C, TYR253B, TYR253C, VAL220B, VAL220C, VAL264B, VAL264C, VAL37B, VAL37C, VAL38B, VAL38C
• B-D: ALA36B, ALA36D, ARG257B, ARG257D, ARG35B, ARG35D, ASN65B, ASN65D, ASP28B, ASP28D, GLN31B, GLN31D, GLN49B, GLN49D, GLN54B, GLN54D, GLU30B, GLU30D, GLU59B, GLU59D, GLY50B, GLY50D, GLY57B, GLY57D, ILE250B, ILE250D, ILE41B, ILE41D, LEU254B, LEU254D, LEU43B, LEU43D, LYS48B, LYS48D, PHE47B, PHE47D, PHE58B, PHE58D, PRO249B, PRO249D, PRO29B, PRO29D, PRO39B, PRO39D, PRO40B, PRO40D, PRO66B, PRO66D, SER34B, SER34D, SER42B, SER42D, SER44B, SER44D, SER56B, THR33B, THR33D, THR45B, THR45D, THR46B, THR46D, THR67B, THR67D, TRP32B, TRP32D, TYR253B, TYR253D, VAL37B, VAL37D, VAL38B, VAL38D
• C-D: ALA103C, ALA103D, ALA125C, ALA125D, ALA210C, ALA210D, ALA245C, ALA245D, ALA325C, ALA325D, ALA338C, ALA338D, ALA348C, ALA348D, ALA352D, ALA357C, ALA357D, ALA51C, ALA51D, ALA88C, ALA88D, ALA92C, ALA92D, ALA93C, ALA93D, ARG119C, ARG119D, ARG122C, ARG122D, ARG62C, ARG62D, ARG68C, ARG68D, ASN215C, ASN215D, ASN241C, ASN241D, ASN65C, ASN65D, ASP105C, ASP105D, ASP219C, ASP219D, ASP251C, ASP251D, CYS252C, CYS252D, GLN123C, GLN123D, GLN240C, GLN240D, GLN49C, GLN49D, GLN54C, GLN54D, GLU127C, GLU127D, GLU326C, GLU326D, GLU339C, GLU339D, GLU345C, GLU345D, GLU349C, GLU349D, GLU59C, GLU59D, GLY104C, GLY104D, GLY115C, GLY115D, GLY116C, GLY116D, GLY129C, GLY129D, GLY216C, GLY216D, GLY244C, GLY244D, GLY343C, GLY343D, GLY50C, GLY50D, GLY53C, GLY53D, GLY64C, GLY64D, GLY90C, GLY90D, HIS217C, HIS217D, HIS99C, HIS99D, ILE107C, ILE107D, ILE250C, ILE250D, ILE327C, ILE327D, ILE353C, ILE353D, ILE374C, ILE374D, ILE41C, ILE41D, ILE97C, ILE97D, LEU100C, LEU100D, LEU101C, LEU101D, LEU130C, LEU130D, LEU239C, LEU239D, LEU243C, LEU243D, LEU254C, LEU254D, LEU322C, LEU322D, LEU329C, LEU329D, LEU332C, LEU332D, LEU334D, LEU337C, LEU337D, LEU341C, LEU341D, LEU347C, LEU347D, LEU350C, LEU350D, LEU43C, LEU43D, LEU91C, LEU91D, LYS102C, LYS102D, LYS212C, LYS212D, LYS330C, LYS330D, LYS333C, LYS333D, LYS48C, LYS48D, MET222C, MET222D, MET354C, MET354D, PHE121C, PHE121D, PHE128C, PHE128D, PHE238C, PHE238D, PHE335C, PHE335D, PHE344C, PHE344D, PHE47C, PHE47D, PHE58C, PHE58D, PHE87C, PHE87D, PRO247C, PRO247D, PRO249C, PRO249D, PRO351C, PRO351D, PRO52C, PRO52D, SER126C, SER126D, SER209C, SER209D, SER218C, SER218D, SER242C, SER242D, SER248C, SER248D, SER340C, SER340D, SER358C, SER358D, SER42C, SER42D, SER44C, SER44D, SER61C, SER61D, SER63C, SER63D, SER89C, SER89D, THR117C, THR117D, THR189C, THR189D, THR211C, THR211D, THR336C, THR336D, THR355C, THR355D, THR45C, THR45D, THR46C, THR46D, THR94C, THR94D, THR96C, THR96D, THR98C, THR98D, TYR114C, TYR114D, TYR120C, TYR120D, TYR253C, TYR60C, TYR60D, VAL124C, VAL124D, VAL220C, VAL220D, VAL221C, VAL221D, VAL246C, VAL246D, VAL95C, VAL95D