2PNO

crystal structure of human leukotriene c4 synthase

• Total interactions analyzed: 66
• Total true interactions: 14
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 106
  • Norm. En. per Res.: -2.0946
• Hub Node: A(2)

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	-10.5003	-17.1461	-194.371	-222.0174	107	10	16	9678	1	10	7
A-C	0.0	-2.5233	-200.731	-203.2543	108	4	15	9830	0	9	8
B-C	-12.2943	-7.7861	-201.95	-222.0304	106	5	15	9710	0	9	7
C-D	0.0	6.9373	-188.957	-182.0197	89	7	19	9647	0	4	8
D-E	-15.9316	-4.0175	-193.258	-213.2071	107	7	16	9980	0	9	7
D-F	-6.7922	-7.5194	-198.071	-212.3825	107	7	15	9849	0	9	7
E-F	0.0	-4.8608	-190.767	-195.6278	109	4	14	9839	0	10	7
G-H	0.0	-5.5122	-202.442	-207.9542	106	5	15	9788	0	10	7
G-I	0.0	-17.384	-201.045	-218.429	106	13	14	10032	1	10	8
H-I	-13.9825	-7.499	-202.373	-223.8545	107	8	14	9878	1	11	8
I-K	-3.059	18.8091	-97.1077	-81.3576	79	1	8	5598	0	3	10
J-K	-7.5826	-6.8634	-200.734	-215.18	106	10	14	9831	0	10	7
J-L	0.0	-5.0551	-190.988	-196.0431	106	13	16	9987	0	10	8
K-L	-5.5041	-5.4052	-200.493	-211.4023	108	16	17	10010	0	9	7

Interface residues

• A-B: ALA101A, ALA10B, ALA112A, ALA120A, ALA122A, ALA123A, ALA20B, ALA52A, ALA65A, ALA65B, ALA6B, ALA70A, ALA9B, ARG104A, ARG30B, ARG48A, ARG51A, ARG51B, ARG90A, ASN55A, ASP3A, ASP3B, CYS56B, GLN102A, GLN19B, GLN53B, GLU45A, GLU47A, GLU4A, GLU4B, GLU58A, GLU58B, GLU76B, GLY125A, GLY15B, HIS129A, ILE27B, ILE72A, LEU105A, LEU108A, LEU115A, LEU118A, LEU121A, LEU124A, LEU126A, LEU127A, LEU13B, LEU14B, LEU17B, LEU18B, LEU24B, LEU39B, LEU62A, LEU62B, LEU64A, LEU64B, LEU67A, LEU7B, LEU8B, LYS2A, LYS2B, PHE130A, PHE22B, PHE46A, PHE46B, PHE60A, PHE60B, PHE63A, PHE63B, PHE73A, PRO37B, PRO38B, PRO44A, PRO61A, PRO61B, SER100A, SER23B, SER36B, SER57A, SER57B, THR12B, THR40A, THR40B, THR41A, THR41B, THR66A, TRP116A, TRP68A, TRP68B, TYR109A, TYR21B, TYR50A, TYR50B, TYR59A, TYR93A, TYR97A, VAL119A, VAL11B, VAL16B, VAL26B, VAL35B, VAL49A, VAL54A, VAL54B, VAL5A, VAL5B, VAL69A
• A-C: ALA101C, ALA10A, ALA112C, ALA120C, ALA122C, ALA123C, ALA128C, ALA20A, ALA52C, ALA65A, ALA65C, ALA6A, ALA70C, ALA9A, ARG104C, ARG30A, ARG48C, ARG51A, ARG51C, ARG90C, ASN55C, ASP3A, CB7.769305.71838, CYS56A, GLN102C, GLN19A, GLN53A, GLU45C, GLU47C, GLU4A, GLU58A, GLU58C, GLU76A, GLY125C, GLY15A, GLY71C, HIS129C, ILE27A, ILE72C, LEU105C, LEU108C, LEU115C, LEU118C, LEU121C, LEU124C, LEU126C, LEU127C, LEU13A, LEU14A, LEU17A, LEU18A, LEU24A, LEU39A, LEU62A, LEU62C, LEU64A, LEU64C, LEU67C, LEU7A, LEU8A, LYS2A, LYS2A5, PHE130C, PHE22A, PHE46A, PHE46C, PHE60A, PHE60C, PHE63A, PHE63C, PHE73C, PHE74C, PRO37A, PRO38A, PRO44C, PRO61A, PRO61C, SER100C, SER23A, SER36A, SER57A, SER57C, THR12A, THR40A, THR40C, THR41A, THR41C, THR66C, TRP116C, TRP68A, TRP68C, TYR109C, TYR21A, TYR50A, TYR50C, TYR59C, TYR93C, TYR97C, VAL119C, VAL11A, VAL16A, VAL26A, VAL35A, VAL49C, VAL54A, VAL54C, VAL5A, VAL69C
• B-C: ALA101B, ALA10C, ALA112B, ALA120B, ALA122B, ALA123B, ALA20C, ALA52B, ALA65B, ALA65C, ALA6C, ALA70B, ALA9C, ARG104B, ARG30C, ARG31C, ARG48B, ARG51B, ARG51C, ARG90B, ASN55B, ASP3C, CYS56C, GLN102B, GLN19C, GLN53C, GLU45B, GLU47B, GLU4B, GLU4C, GLU58B, GLU58C, GLU76C, GLY125B, GLY15C, HIS129B, ILE27C, ILE72B, LEU105B, LEU108B, LEU115B, LEU118B, LEU121B, LEU124B, LEU126B, LEU127B, LEU13C, LEU14C, LEU17C, LEU18C, LEU24C, LEU39C, LEU62B, LEU62C, LEU64B, LEU64C, LEU67B, LEU7C, LEU8C, LYS2C, PHE130B, PHE22C, PHE46B, PHE46C, PHE60B, PHE60C, PHE63B, PHE63C, PHE73B, PRO37C, PRO38C, PRO44B, PRO61B, PRO61C, SER100B, SER23C, SER36C, SER57B, SER57C, THR12C, THR40B, THR40C, THR41B, THR41C, THR66B, TRP116B, TRP68B, TRP68C, TYR109B, TYR21C, TYR50B, TYR50C, TYR59B, TYR93B, TYR97B, VAL119B, VAL11C, VAL16C, VAL26C, VAL35C, VAL49B, VAL54B, VAL54C, VAL5B, VAL5C, VAL69B
• C-D: ALA110C, ALA114C, ALA114D, ALA120C, ALA120D, ALA128C, ALA128D, ALA133C, ALA133D, ALA134C, ALA134D, ALA137C, ALA137D, ALA138C, ALA138D, ALA78C, ALA78D, ALA79C, ALA79D, ALA80C, ALA80D, ALA89C, ALA89D, ARG113C, ARG136C, ARG136D, ARG142C, ARG142D, ARG144C, ARG144D, ARG92C, ARG92D, CYS82C, CYS82D, GLU76C, GLU76D, GLY125C, GLY125D, GLY141C, GLY141D, GLY77C, GLY77D, GLY83C, GLY83D, HIS75C, HIS75D, LEU117C, LEU117D, LEU118C, LEU118D, LEU121C, LEU121D, LEU124C, LEU124D, LEU131C, LEU131D, LEU135C, LEU135D, LEU139C, LEU139D, LEU140C, LEU140D, LEU143C, LEU143D, LEU146C, LEU146D, LEU147C, LEU147D, LEU14C, LEU7C, LEU7D, LEU81C, LEU81D, LEU84C, LEU84D, LEU87C, PHE73C, PHE73D, PHE74C, PHE74D, PHE88C, PHE88D, PRO132C, PRO132D, TYR86C, TYR86D, VAL11D, VAL85C, VAL85D
• D-E: ALA101D, ALA10E, ALA112D, ALA120D, ALA122D, ALA123D, ALA128D, ALA20E, ALA52D, ALA65D, ALA6E, ALA70D, ALA9E, ARG104D, ARG30E, ARG31E, ARG48D, ARG51D, ARG51E, ARG90D, ASN55D, ASP3E, CYS56E, GLN102D, GLN19E, GLN53E, GLU45D, GLU47D, GLU4D, GLU4E, GLU58D, GLU58E, GLU76E, GLY125D, GLY15E, GLY71D, HIS129D, ILE27E, ILE72D, LEU105D, LEU108D, LEU115D, LEU118D, LEU121D, LEU124D, LEU126D, LEU127D, LEU13E, LEU14E, LEU17E, LEU18E, LEU24E, LEU39E, LEU62D, LEU62E, LEU64D, LEU64E, LEU67D, LEU7E, LEU8E, LYS2E, PHE130D, PHE22E, PHE46D, PHE46E, PHE60D, PHE60E, PHE63D, PHE63E, PHE73D, PHE74D, PRO37E, PRO38E, PRO44D, PRO61D, PRO61E, SER100D, SER23E, SER36E, SER57D, SER57E, THR12E, THR40D, THR40E, THR41D, THR41E, THR66D, TRP116D, TRP68D, TRP68E, TYR109D, TYR21E, TYR50D, TYR50E, TYR59D, TYR93D, TYR97D, VAL119D, VAL11E, VAL16E, VAL26E, VAL35E, VAL49D, VAL54D, VAL54E, VAL5E, VAL69D
• D-F: ALA101F, ALA10D, ALA112F, ALA120F, ALA122F, ALA123F, ALA20D, ALA52F, ALA65D, ALA65F, ALA6D, ALA70F, ALA9D, ARG104F, ARG30D, ARG48F, ARG51D, ARG51F, ARG90F, ASN55F, ASP3D, CYS56D, GLN102F, GLN19D, GLN53D, GLU47F, GLU4D, GLU4F, GLU58D, GLU58F, GLU76D, GLY125F, GLY15D, GLY71F, HIS129F, ILE27D, ILE72F, LEU105F, LEU108F, LEU115F, LEU118F, LEU121F, LEU124F, LEU126F, LEU127F, LEU13D, LEU14D, LEU17D, LEU18D, LEU24D, LEU39D, LEU62D, LEU62F, LEU64D, LEU64F, LEU67D, LEU67F, LEU7D, LEU8D, LYS2D, LYS2F, PHE130F, PHE22D, PHE46D, PHE46F, PHE60D, PHE60F, PHE63D, PHE63F, PHE73F, PRO37D, PRO38D, PRO44F, PRO61D, PRO61F, SER100F, SER23D, SER36D, SER57D, SER57F, THR12D, THR40D, THR40F, THR41D, THR41F, THR66F, TRP116F, TRP68D, TRP68F, TYR109F, TYR21D, TYR50D, TYR50F, TYR59F, TYR93F, TYR97F, VAL119F, VAL11D, VAL16D, VAL26D, VAL35D, VAL49F, VAL54D, VAL54F, VAL5D, VAL5F, VAL69F
• E-F: ALA101E, ALA10F, ALA112E, ALA120E, ALA122E, ALA123E, ALA128E, ALA20F, ALA52E, ALA65E, ALA65F, ALA6F, ALA70E, ALA9F, ARG104E, ARG30F, ARG48E, ARG51E, ARG90E, ASN55E, ASP3F, CYS56F, GLN102E, GLN19F, GLN53F, GLU45E, GLU47E, GLU4E, GLU4F, GLU58E, GLU58F, GLU76F, GLY125E, GLY15F, GLY42E, GLY71E, HIS129E, ILE27F, ILE72E, LEU105E, LEU108E, LEU115E, LEU118E, LEU121E, LEU124E, LEU126E, LEU127E, LEU13F, LEU14F, LEU17F, LEU18F, LEU24F, LEU39F, LEU62E, LEU62F, LEU64E, LEU64F, LEU67E, LEU67F, LEU7F, LEU8F, LYS2F, PHE130E, PHE22F, PHE46E, PHE46F, PHE60E, PHE60F, PHE63E, PHE63F, PHE73E, PHE74E, PRO37F, PRO38F, PRO43E, PRO44E, PRO61E, PRO61F, SER100E, SER23F, SER36F, SER57E, SER57F, THR12F, THR40E, THR40F, THR41E, THR41F, THR66E, TRP116E, TRP68E, TRP68F, TYR109E, TYR21F, TYR50E, TYR50F, TYR59E, TYR93E, TYR97E, VAL119E, VAL11F, VAL16F, VAL26F, VAL35F, VAL49E, VAL54E, VAL54F, VAL5F, VAL69E
• G-H: ALA101G, ALA10H, ALA112G, ALA120G, ALA122G, ALA123G, ALA128G, ALA20H, ALA52G, ALA65G, ALA65H, ALA6H, ALA70G, ALA9H, ARG104G, ARG30H, ARG48G, ARG51G, ARG51H, ARG90G, ASN55G, ASP3H, CYS56H, GLN102G, GLN19H, GLN53H, GLU47G, GLU4G, GLU4H, GLU58G, GLU58H, GLU76H, GLY125G, GLY15H, GLY71G, HIS129G, ILE27H, ILE72G, LEU105G, LEU108G, LEU115G, LEU118G, LEU121G, LEU124G, LEU126G, LEU127G, LEU13H, LEU14H, LEU17H, LEU18H, LEU24H, LEU39H, LEU62G, LEU62H, LEU64G, LEU64H, LEU67G, LEU7H, LEU8H, LYS2H, PHE130G, PHE22H, PHE46G, PHE46H, PHE60G, PHE60H, PHE63G, PHE63H, PHE73G, PHE74G, PRO37H, PRO38H, PRO44G, PRO61G, PRO61H, SER100G, SER23H, SER36H, SER57G, SER57H, THR12H, THR40G, THR40H, THR41G, THR41H, THR66G, TRP116G, TRP68G, TRP68H, TYR109G, TYR21H, TYR50G, TYR50H, TYR59G, TYR93G, TYR97G, VAL119G, VAL11H, VAL16H, VAL26H, VAL35H, VAL49G, VAL54G, VAL54H, VAL5H, VAL69G
• G-I: ALA101I, ALA10G, ALA112I, ALA120I, ALA122I, ALA123I, ALA20G, ALA52I, ALA65G, ALA65I, ALA6G, ALA70I, ALA9G, ARG104I, ARG30G, ARG48I, ARG51G, ARG51I, ARG90I, ASN55I, ASP3G, CYS56G, GLN102I, GLN19G, GLN53G, GLU47I, GLU4G, GLU4I, GLU58G, GLU58I, GLU76G, GLY125I, GLY15G, GLY71I, HIS129I, ILE27G, ILE72I, LEU105I, LEU108I, LEU115I, LEU118I, LEU121I, LEU124I, LEU126I, LEU127I, LEU13G, LEU14G, LEU17G, LEU18G, LEU24G, LEU39G, LEU62G, LEU62I, LEU64G, LEU64I, LEU67I, LEU7G, LEU8G, LYS2G, LYS2I, PHE130I, PHE22G, PHE46G, PHE46I, PHE60G, PHE60I, PHE63G, PHE63I, PHE73I, PRO37G, PRO38G, PRO44I, PRO61G, PRO61I, SER100I, SER23G, SER36G, SER57G, SER57I, THR12G, THR40G, THR40I, THR41G, THR41I, THR66I, TRP116I, TRP68G, TRP68I, TYR109I, TYR21G, TYR50G, TYR50I, TYR59I, TYR93I, TYR97I, VAL119I, VAL11G, VAL16G, VAL26G, VAL35G, VAL49I, VAL54G, VAL54I, VAL5G, VAL5I, VAL69I
• H-I: ALA101H, ALA10I, ALA112H, ALA120H, ALA122H, ALA123H, ALA20I, ALA52H, ALA65H, ALA65I, ALA6I, ALA70H, ALA9I, ARG104H, ARG30I, ARG48H, ARG51H, ARG51I, ARG90H, ASN55H, ASP3I, CYS56I, GLN102H, GLN19I, GLN53I, GLU45H, GLU47H, GLU4H, GLU4I, GLU58H, GLU58I, GLU76I, GLY125H, GLY15I, GLY71H, HIS129H, ILE27I, ILE72H, LEU105H, LEU108H, LEU115H, LEU118H, LEU121H, LEU124H, LEU126H, LEU127H, LEU13I, LEU14I, LEU17I, LEU18I, LEU24I, LEU39I, LEU62H, LEU62I, LEU64H, LEU64I, LEU67H, LEU7I, LEU8I, LYS2I, PHE130H, PHE22I, PHE46H, PHE46I, PHE60H, PHE60I, PHE63H, PHE63I, PHE73H, PHE74H, PRO37I, PRO38I, PRO44H, PRO61H, PRO61I, SER100H, SER23I, SER36I, SER57H, SER57I, THR12I, THR40H, THR40I, THR41H, THR41I, THR66H, TRP116H, TRP68H, TRP68I, TYR109H, TYR21I, TYR50H, TYR50I, TYR59H, TYR93H, TYR97H, VAL119H, VAL11I, VAL16I, VAL26I, VAL35I, VAL49H, VAL54H, VAL54I, VAL5H, VAL5I, VAL69H
• I-K: ALA114I, ALA114K, ALA120I, ALA120K, ALA128I, ALA128K, ALA133I, ALA133K, ALA137I, ALA137K, ALA138I, ALA138K, ALA70I, ALA78I, ALA78K, ALA79I, ALA79K, ALA80K, ARG113I, ARG113K, ARG136I, ARG136K, ARG142K, ARG144I, ARG144K, CYS82I, CYS82K, GLU76I, GLU76K, GLY125I, GLY125K, GLY141I, GLY141K, GLY71I, GLY71K, GLY77I, GLY77K, HIS129I, HIS129K, HIS75I, HIS75K, ILE72I, ILE72K, LEU117I, LEU117K, LEU118I, LEU118K, LEU121I, LEU121K, LEU124I, LEU124K, LEU127I, LEU127K, LEU131I, LEU135I, LEU135K, LEU139I, LEU139K, LEU140I, LEU140K, LEU143I, LEU143K, LEU146I, LEU146K, LEU147I, LEU147K, LEU81I, LEU81K, LEU84I, LEU84K, PHE73I, PHE73K, PHE74I, PHE74K, PRO132I, PRO132K, TYR86K, VAL85I, VAL85K
• J-K: ALA101J, ALA10K, ALA112J, ALA120J, ALA122J, ALA123J, ALA128J, ALA20K, ALA52J, ALA65J, ALA6K, ALA70J, ALA9K, ARG104J, ARG30K, ARG48J, ARG51J, ARG51K, ARG90J, ASN55J, ASP3K, GLN102J, GLN19K, GLN53K, GLU45J, GLU47J, GLU4J, GLU4K, GLU58J, GLU58K, GLU76K, GLY125J, GLY15K, GLY71J, HIS129J, ILE27K, ILE72J, LEU105J, LEU108J, LEU115J, LEU118J, LEU121J, LEU124J, LEU126J, LEU127J, LEU13K, LEU14K, LEU17K, LEU18K, LEU24K, LEU39K, LEU62J, LEU62K, LEU64J, LEU64K, LEU67J, LEU7K, LEU8K, LYS2K, PHE130J, PHE22K, PHE46J, PHE46K, PHE60J, PHE60K, PHE63J, PHE63K, PHE73J, PHE74J, PRO37K, PRO38K, PRO44J, PRO61J, PRO61K, SER100J, SER23K, SER36K, SER57J, SER57K, THR12K, THR40J, THR40K, THR41J, THR41K, THR66J, TRP116J, TRP68J, TRP68K, TYR109J, TYR21K, TYR50J, TYR50K, TYR59J, TYR93J, TYR97J, VAL119J, VAL11K, VAL16K, VAL26K, VAL35K, VAL49J, VAL54J, VAL54K, VAL5J, VAL5K, VAL69J
• J-L: ALA101L, ALA10J, ALA112L, ALA120L, ALA122L, ALA123L, ALA128L, ALA20J, ALA52L, ALA65J, ALA65L, ALA6J, ALA70L, ALA9J, ARG104L, ARG30J, ARG48L, ARG51J, ARG51L, ARG90L, ASN55L, ASP3J, CYS56J, GLN102L, GLN19J, GLN53J, GLU45L, GLU47L, GLU4J, GLU4L, GLU58J, GLU58L, GLU76J, GLY125L, GLY15J, HIS129L, ILE27J, ILE72L, LEU105L, LEU108L, LEU115L, LEU118L, LEU121L, LEU124L, LEU126L, LEU127L, LEU13J, LEU14J, LEU17J, LEU18J, LEU24J, LEU39J, LEU62J, LEU62L, LEU64J, LEU64L, LEU67L, LEU7J, LEU8J, LYS2J, PHE130L, PHE22J, PHE46J, PHE46L, PHE60J, PHE60L, PHE63J, PHE63L, PHE73L, PHE74L, PRO37J, PRO38J, PRO44L, PRO61J, PRO61L, SER100L, SER23J, SER36J, SER57J, SER57L, THR12J, THR40J, THR40L, THR41J, THR41L, THR66L, TRP116L, TRP68J, TRP68L, TYR109L, TYR21J, TYR50J, TYR50L, TYR59L, TYR93L, TYR97L, VAL119L, VAL11J, VAL16J, VAL26J, VAL35J, VAL49L, VAL54J, VAL54L, VAL5J, VAL69L
• K-L: ALA101K, ALA10L, ALA112K, ALA120K, ALA122K, ALA123K, ALA128K, ALA20L, ALA52K, ALA65K, ALA65L, ALA6L, ALA70K, ALA9L, ARG104K, ARG30L, ARG48K, ARG51K, ARG51L, ARG90K, ASN55K, ASP3L, CYS56L, GLN102K, GLN19L, GLN53L, GLU45K, GLU47K, GLU4K, GLU4L, GLU58K, GLU58L, GLU76L, GLY125K, GLY15L, GLY71K, HIS129K, ILE27L, ILE72K, LEU105K, LEU108K, LEU115K, LEU118K, LEU121K, LEU124K, LEU126K, LEU127K, LEU13L, LEU14L, LEU17L, LEU18L, LEU24L, LEU39L, LEU62K, LEU62L, LEU64K, LEU64L, LEU67K, LEU67L, LEU7L, LEU8L, LYS2L, PHE130K, PHE22L, PHE46K, PHE46L, PHE60K, PHE60L, PHE63K, PHE63L, PHE73K, PHE74K, PRO37L, PRO38L, PRO44K, PRO61K, PRO61L, SER100K, SER23L, SER36L, SER57K, SER57L, THR12L, THR40K, THR40L, THR41K, THR41L, THR66K, TRP116K, TRP68K, TRP68L, TYR109K, TYR21L, TYR50K, TYR50L, TYR59K, TYR93K, TYR97K, VAL119K, VAL11L, VAL16L, VAL26L, VAL35L, VAL49K, VAL54K, VAL54L, VAL5L, VAL69K