3T5P

crystal structure of a putative diacylglycerol kinase from bacillus anthracis str. sterne

• Total interactions analyzed: 66
• Total true interactions: 15
• Strongest Interaction:
  • Chains: I-K
  • Int. Res.: 84
  • Norm. En. per Res.: -4.5571
• Hub Node: B(4)

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-H	-111.2356	-36.1196	-225.689	-373.0442	83	9	13	8806	4	26	31
A-J	-32.6875	-12.7599	-150.267	-195.7145	102	5	0	7212	2	38	44
B-C	0.0	0.0	-0.0016	-0.0016	2	0	0	1	0	1	0
B-D	-45.0462	4.5969	-174.915	-215.3643	104	10	0	7852	2	38	48
B-G	-105.0012	-34.7342	-228.054	-367.7894	86	8	13	9092	4	24	30
B-I	-6.478	14.5902	-21.4335	-13.3213	30	1	0	915	0	23	10
C-E	-108.632	-32.7907	-240.705	-382.1277	85	9	13	9023	2	25	31
C-I	-28.9728	-17.562	-159.052	-205.5868	102	8	0	7338	3	38	48
D-L	-112.8795	-35.1829	-236.594	-384.6564	85	8	13	9131	3	25	31
E-K	-24.4953	-8.2465	-155.458	-188.1999	101	11	0	7659	2	36	48
F-H	-22.077	24.1351	-139.905	-137.847	99	3	0	7031	1	35	46
F-J	-109.0405	-34.827	-233.549	-377.4165	85	8	13	8923	2	26	32
G-L	-25.7088	-3.1751	-163.953	-192.8369	101	5	0	7491	3	37	45
H-I	0.0	0.0	-0.0459	-0.0459	4	0	0	10	0	5	4
I-K	-111.9542	-32.8073	-238.037	-382.7984	84	10	13	9068	2	25	34

Interface residues

• A-H: ALA112A, ALA112H, ALA115A, ALA34A, ALA34H, ALA35A, ALA35H, ALA36A, ALA36H, ASN25A, ASN25H, ASP39A, ASP39H, GLU57A, GLU57H, GLU7A, GLU7H, HIS23A, HIS23H, HIS41A, HIS41H, HIS44A, HIS44H, ILE12A, ILE12H, ILE29A, ILE29H, ILE42A, ILE42H, LEU10A, LEU10H, LEU11A, LEU11H, LEU22A, LEU22H, LEU26A, LEU26H, LEU33A, LEU33H, LEU40A, LEU40H, LEU43A, LEU43H, LYS116A, LYS116H, LYS28A, LYS28H, LYS46A, LYS46H, LYS61A, LYS61H, LYS8A, LYS8H, PHE37A, PHE37H, PHE58A, PHE58H, PRO15A, PRO15H, PRO31A, PRO31H, PRO32A, PRO32H, PRO38A, PRO38H, THR119A, THR119H, THR24A, THR24H, THR27A, THR27H, THR45A, THR45H, TYR54A, TYR54H, VAL13A, VAL13H, VAL30A, VAL30H, VAL62A, VAL62H, VAL9A, VAL9H
• A-J: ALA131A, ALA131J, ALA51A, ALA51J, ALA59A, ALA59J, ALA82A, ALA82J, ARG87A, ARG87J, ASN132A, ASN132J, ASN79A, ASN79J, ASP186A, ASP186J, ASP50A, ASP50J, CYS282A, CYS282J, CYS55J, GLN134A, GLN134J, GLN188A, GLN283A, GLN283J, GLN56A, GLN56J, GLU263A, GLU263J, GLU265A, GLU265J, GLU266A, GLU266J, GLU267A, GLU267J, GLU285A, GLU285J, GLU57A, GLU57J, GLU76J, GLU85A, GLU85J, GLY133A, GLY133J, GLY187A, GLY187J, GLY49A, GLY49J, GLY80A, GLY80J, HIS135A, HIS135J, HIS261A, HIS261J, HIS279A, HIS279J, ILE260A, ILE260J, ILE262A, ILE262J, ILE284A, ILE284J, ILE86A, ILE86J, LEU278A, LEU278J, LEU81A, LEU81J, LEU84A, LEU84J, LYS130A, LYS130J, LYS182A, LYS182J, LYS53A, LYS53J, LYS61A, LYS61J, PHE58A, PHE58J, PRO281A, PRO281J, PRO83A, PRO83J, SER259A, SER259J, SER277A, SER277J, SER60A, SER60J, THR184A, THR184J, THR264J, THR280A, THR280J, THR52A, THR52J, TYR185A, TYR54A, TYR54J, VAL189A
• B-C: GLY187C, THR172B
• B-D: ALA131B, ALA131D, ALA51B, ALA51D, ALA59B, ALA59D, ALA82B, ALA82D, ARG87B, ARG87D, ASN132B, ASN132D, ASN79B, ASN79D, ASP186B, ASP186D, ASP50B, ASP50D, CYS282B, CYS282D, CYS55B, CYS55D, GLN134B, GLN134D, GLN283B, GLN283D, GLN56B, GLN56D, GLU191D, GLU263B, GLU263D, GLU265B, GLU265D, GLU266D, GLU267B, GLU267D, GLU285B, GLU285D, GLU57B, GLU57D, GLU76B, GLU76D, GLU85B, GLU85D, GLY133B, GLY133D, GLY187B, GLY187D, GLY49B, GLY49D, GLY80B, GLY80D, HIS135B, HIS135D, HIS261B, HIS261D, HIS279B, HIS279D, ILE260B, ILE260D, ILE262B, ILE262D, ILE284B, ILE284D, ILE86B, ILE86D, LEU278B, LEU278D, LEU286B, LEU81B, LEU81D, LEU84B, LEU84D, LYS130B, LYS130D, LYS182B, LYS182D, LYS53B, LYS53D, LYS61B, LYS61D, PHE58B, PHE58D, PRO281B, PRO281D, PRO83B, PRO83D, SER259B, SER259D, SER277B, SER277D, SER60B, SER60D, THR184B, THR184D, THR264B, THR264D, THR280B, THR280D, THR52B, THR52D, TYR54B, TYR54D, VAL189D
• B-G: ALA112G, ALA115G, ALA34B, ALA34G, ALA35B, ALA35G, ALA36B, ALA36G, ASN25B, ASN25G, ASP21B, ASP39B, ASP39G, GLU57B, GLU57G, GLU7B, GLU7G, HIS23B, HIS23G, HIS41B, HIS41G, HIS44B, HIS44G, ILE12B, ILE12G, ILE29B, ILE29G, ILE42B, ILE42G, LEU10B, LEU10G, LEU11B, LEU11G, LEU22B, LEU22G, LEU26B, LEU26G, LEU33B, LEU33G, LEU40B, LEU40G, LEU43B, LEU43G, LYS116B, LYS116G, LYS28B, LYS28G, LYS46B, LYS46G, LYS61B, LYS61G, LYS8B, LYS8G, PHE37B, PHE37G, PHE58B, PHE58G, PRO15B, PRO15G, PRO31B, PRO31G, PRO32B, PRO32G, PRO38B, PRO38G, THR119B, THR119G, THR24B, THR24G, THR27B, THR27G, THR2B, THR45B, THR45G, THR4B, THR4G, TYR54B, TYR54G, VAL13B, VAL13G, VAL30B, VAL30G, VAL62B, VAL62G, VAL9B, VAL9G
• B-I: ALA176I, ALA234B, ARG171B, ASN175I, ASN248B, ASP237B, ASP246B, GLN233B, GLU177I, GLU193I, GLU245B, GLU249B, GLU265I, GLU266I, GLU267I, GLU269I, GLY240B, ILE252B, LEU243B, LYS174I, LYS236B, LYS241B, LYS268I, PHE179I, PHE235B, PHE244B, SER247B, THR172B, THR178I, TYR238B
• C-E: ALA112C, ALA112E, ALA115C, ALA115E, ALA34C, ALA34E, ALA35C, ALA35E, ALA36C, ALA36E, ASN25C, ASN25E, ASP21C, ASP21E, ASP39C, ASP39E, GLU57C, GLU57E, GLU7C, GLU7E, HIS23C, HIS23E, HIS41C, HIS41E, HIS44C, HIS44E, ILE29C, ILE29E, ILE42C, ILE42E, LEU10C, LEU10E, LEU11C, LEU11E, LEU22C, LEU22E, LEU26C, LEU26E, LEU33C, LEU33E, LEU40C, LEU40E, LEU43C, LEU43E, LYS116C, LYS116E, LYS28C, LYS28E, LYS46C, LYS46E, LYS61C, LYS61E, LYS8C, LYS8E, PHE37C, PHE37E, PHE58C, PHE58E, PRO15C, PRO15E, PRO31C, PRO31E, PRO32C, PRO32E, PRO38C, PRO38E, THR119C, THR119E, THR24C, THR24E, THR27C, THR27E, THR45C, THR45E, THR4E, TYR54C, TYR54E, VAL13C, VAL13E, VAL30C, VAL30E, VAL62C, VAL62E, VAL9C, VAL9E
• C-I: ALA131C, ALA131I, ALA51C, ALA51I, ALA59C, ALA59I, ALA82C, ALA82I, ARG87C, ARG87I, ASN132C, ASN132I, ASN79C, ASN79I, ASP186C, ASP186I, ASP50C, ASP50I, CYS282C, CYS282I, CYS55C, CYS55I, GLN134C, GLN134I, GLN188I, GLN283C, GLN283I, GLN56C, GLN56I, GLU263C, GLU263I, GLU265C, GLU265I, GLU266I, GLU267C, GLU267I, GLU285C, GLU285I, GLU57C, GLU57I, GLU76C, GLU76I, GLU85C, GLU85I, GLY133C, GLY133I, GLY187C, GLY49C, GLY49I, GLY80C, GLY80I, HIS135C, HIS135I, HIS261C, HIS261I, HIS279C, HIS279I, ILE260C, ILE260I, ILE262C, ILE262I, ILE284C, ILE284I, ILE86C, ILE86I, LEU278C, LEU278I, LEU81C, LEU81I, LEU84C, LEU84I, LYS130C, LYS130I, LYS182C, LYS182I, LYS53C, LYS53I, LYS61C, LYS61I, PHE58C, PHE58I, PRO281C, PRO281I, PRO83C, PRO83I, SER259C, SER259I, SER277C, SER60C, SER60I, THR184C, THR184I, THR264C, THR264I, THR280C, THR280I, THR52C, THR52I, TYR185I, TYR54C, TYR54I, VAL189I
• D-L: ALA112D, ALA112L, ALA115D, ALA115L, ALA34D, ALA34L, ALA35D, ALA35L, ALA36D, ALA36L, ASN25D, ASN25L, ASP21D, ASP39D, ASP39L, GLU57D, GLU57L, GLU7D, GLU7L, HIS23D, HIS23L, HIS41D, HIS41L, HIS44D, HIS44L, ILE12L, ILE29D, ILE29L, ILE42D, ILE42L, LEU10D, LEU10L, LEU11D, LEU11L, LEU22D, LEU22L, LEU26D, LEU26L, LEU33D, LEU33L, LEU40D, LEU40L, LEU43D, LEU43L, LYS116D, LYS116L, LYS28D, LYS28L, LYS3D, LYS46D, LYS46L, LYS61D, LYS61L, LYS8D, LYS8L, PHE37D, PHE37L, PHE58D, PHE58L, PRO15D, PRO15L, PRO31D, PRO31L, PRO32D, PRO32L, PRO38D, PRO38L, THR119D, THR119L, THR24D, THR24L, THR27D, THR27L, THR45D, THR45L, TYR54D, TYR54L, VAL13D, VAL13L, VAL30D, VAL30L, VAL62D, VAL62L, VAL9D, VAL9L
• E-K: ALA131E, ALA131K, ALA51E, ALA51K, ALA59E, ALA59K, ALA82E, ALA82K, ARG87E, ARG87K, ASN132E, ASN132K, ASN79E, ASN79K, ASP186E, ASP186K, ASP50E, ASP50K, CYS282E, CYS282K, CYS55E, CYS55K, GLN134E, GLN134K, GLN283E, GLN283K, GLN56E, GLN56K, GLU263E, GLU263K, GLU265E, GLU265K, GLU266E, GLU267E, GLU267K, GLU285E, GLU285K, GLU57E, GLU57K, GLU76E, GLU76K, GLU85E, GLU85K, GLY133E, GLY133K, GLY187E, GLY187K, GLY49E, GLY49K, GLY80E, GLY80K, HIS135E, HIS135K, HIS261E, HIS261K, HIS279E, HIS279K, ILE260E, ILE260K, ILE262E, ILE262K, ILE284E, ILE284K, ILE86E, ILE86K, LEU278E, LEU278K, LEU81E, LEU81K, LEU84E, LEU84K, LYS130E, LYS130K, LYS182E, LYS182K, LYS53E, LYS53K, LYS61E, LYS61K, PHE58E, PHE58K, PRO281E, PRO281K, PRO83E, PRO83K, SER259E, SER259K, SER277E, SER277K, SER60E, SER60K, THR184E, THR184K, THR264E, THR264K, THR280E, THR280K, THR52E, THR52K, TYR54E, TYR54K
• F-H: ALA131F, ALA131H, ALA51F, ALA51H, ALA59F, ALA59H, ALA82F, ALA82H, ARG87F, ARG87H, ASN132F, ASN132H, ASN79F, ASN79H, ASP186F, ASP186H, ASP50F, ASP50H, CYS282F, CYS282H, CYS55F, CYS55H, GLN134F, GLN134H, GLN283F, GLN283H, GLN56F, GLN56H, GLU263F, GLU263H, GLU265F, GLU266F, GLU267F, GLU267H, GLU285F, GLU285H, GLU57F, GLU57H, GLU76F, GLU76H, GLU85F, GLU85H, GLY133F, GLY133H, GLY187F, GLY187H, GLY49F, GLY49H, GLY80F, GLY80H, HIS135F, HIS135H, HIS261F, HIS261H, HIS279F, HIS279H, ILE260F, ILE260H, ILE262F, ILE262H, ILE284F, ILE284H, ILE86F, ILE86H, LEU278F, LEU278H, LEU81F, LEU81H, LEU84F, LEU84H, LYS130F, LYS130H, LYS182F, LYS182H, LYS53F, LYS53H, LYS61F, LYS61H, PHE58F, PHE58H, PRO281F, PRO281H, PRO83F, PRO83H, SER259F, SER259H, SER277F, SER60F, SER60H, THR184F, THR184H, THR264F, THR280F, THR280H, THR52F, THR52H, TYR54F, TYR54H, VAL189H
• F-J: ALA112F, ALA112J, ALA115F, ALA115J, ALA34F, ALA34J, ALA35F, ALA35J, ALA36F, ALA36J, ASN25F, ASN25J, ASP21F, ASP21J, ASP39F, ASP39J, GLU57F, GLU57J, GLU7F, GLU7J, HIS23F, HIS23J, HIS41F, HIS41J, HIS44F, HIS44J, ILE12J, ILE29F, ILE29J, ILE42F, ILE42J, LEU10F, LEU10J, LEU11F, LEU11J, LEU22F, LEU22J, LEU26F, LEU26J, LEU33F, LEU33J, LEU40F, LEU40J, LEU43F, LEU43J, LYS116F, LYS116J, LYS28F, LYS28J, LYS46F, LYS46J, LYS61F, LYS61J, LYS8F, LYS8J, PHE37F, PHE37J, PHE58F, PHE58J, PRO15F, PRO15J, PRO31F, PRO31J, PRO32F, PRO32J, PRO38F, PRO38J, THR119F, THR119J, THR24F, THR24J, THR27F, THR27J, THR45F, THR45J, TYR54F, TYR54J, VAL13F, VAL13J, VAL30F, VAL30J, VAL62F, VAL62J, VAL9F, VAL9J
• G-L: ALA131G, ALA131L, ALA51G, ALA51L, ALA59G, ALA59L, ALA82G, ALA82L, ARG87G, ARG87L, ASN132G, ASN132L, ASN79G, ASN79L, ASP186G, ASP186L, ASP50G, ASP50L, CYS282G, CYS282L, CYS55G, CYS55L, GLN134G, GLN134L, GLN188L, GLN283G, GLN283L, GLN56G, GLN56L, GLU263G, GLU263L, GLU265G, GLU265L, GLU266L, GLU267G, GLU267L, GLU285G, GLU285L, GLU57G, GLU57L, GLU76L, GLU85G, GLU85L, GLY133G, GLY133L, GLY187G, GLY187L, GLY49G, GLY49L, GLY80G, GLY80L, HIS135G, HIS135L, HIS261G, HIS261L, HIS279G, HIS279L, ILE260G, ILE260L, ILE262G, ILE262L, ILE284G, ILE284L, ILE86G, ILE86L, LEU278G, LEU278L, LEU81G, LEU81L, LEU84G, LEU84L, LYS130G, LYS130L, LYS182G, LYS182L, LYS53G, LYS53L, LYS61G, LYS61L, PHE58G, PHE58L, PRO281G, PRO281L, PRO83G, PRO83L, SER259G, SER259L, SER277G, SER277L, SER60G, SER60L, THR184G, THR184L, THR264G, THR264L, THR280G, THR280L, THR52G, THR52L, TYR54G, TYR54L
• H-I: ASP186I, GLN188I, GLY240H, SER168H
• I-K: ALA112I, ALA112K, ALA115I, ALA115K, ALA34I, ALA34K, ALA35I, ALA35K, ALA36I, ALA36K, ASN25I, ASN25K, ASP21I, ASP21K, ASP39I, ASP39K, GLU57I, GLU57K, GLU7I, GLU7K, HIS23I, HIS23K, HIS41I, HIS41K, HIS44I, HIS44K, ILE29I, ILE29K, ILE42I, ILE42K, LEU10I, LEU10K, LEU11I, LEU11K, LEU22I, LEU22K, LEU26I, LEU26K, LEU33I, LEU33K, LEU40I, LEU40K, LEU43I, LEU43K, LYS116I, LYS116K, LYS28I, LYS28K, LYS46I, LYS46K, LYS61I, LYS61K, LYS8I, LYS8K, PHE37I, PHE37K, PHE58I, PHE58K, PRO15I, PRO15K, PRO31I, PRO31K, PRO32I, PRO32K, PRO38I, PRO38K, THR119I, THR119K, THR24I, THR24K, THR27I, THR27K, THR45I, THR45K, TYR54I, TYR54K, VAL13I, VAL13K, VAL30I, VAL30K, VAL62I, VAL62K, VAL9I, VAL9K